Molecular formula
C18H22N2

SMILES
CC1C(C2=C(C1(C)C)C=C(C=C2)C3=NC=NC=C3)(C)C

Fragrance
Floral	68.45%
Musk	53.79%
Animal	46.11%
Powdery	37.26%
Amber	36.31%
Leathery	32.22%
Sweet	32.16%
Neroli	31.49%
Dry	28.75%
Fatty	28.05%

 

Flavor
Bitter	43.85%
Woody	37.29%
Camphor	36.51%
Musty	25.12%
Earthy	23.45%
Earth	22.14%
Herbal	21.31%
Cedarleaf	20.44%
Carrot	20.2%
Ripe apricot	20.18%

 

Odor impact est.
Low

XLogP3-AA
4.7

pKa est.
6.12 (neutral)

Molecular weight
266.4 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
410°C

Flash point

• 183.58 ˚C est.

• SCHEMBL11907065
• OPWBLJSIIJHQNH-UHFFFAOYSA-N
• 4-(1,1,2,3,3-pentamethyl-indan-5-yl)-pyrimidine
• 4-(2,3-dihydro-1,1,2,3,3-pentamethyl-1H-inden-5-yl)-pyrimidine

4-(1,1,2,3,3-Pentamethyl-indan-5-yl)-pyrimidine is commonly viewed as a synthetic intermediate in pharmaceutical research, serving as a building block to expand pyrimidine-containing libraries linked to the indane framework with bulky methyl substituents to explore derivatives with biological activity. It also functions as a scaffold for agrochemical development and the design of new crop-protection compounds. In R&D contexts, the compound supports the synthesis of diverse structures and broad molecular libraries, providing a rigid, lipophilic core that underpins exploration of new variants. Given the bulky indane ring and flexible pyrimidine, it may be evaluated as a component for advanced materials research and applications in organic electronics or pigment-related studies in exploratory projects. Real-world applications depend on formulation constraints and regional regulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	123.28
methanol	123.16
isopropanol	84.82
water	1.45
ethyl acetate	254.41
n-propanol	137.87
acetone	247.5
n-butanol	122.32
acetonitrile	137.75
DMF	683.62
toluene	324.74
isobutanol	110.75
1,4-dioxane	436.37
methyl acetate	222.55
THF	673.72
2-butanone	275.34
n-pentanol	67.04
sec-butanol	82.27
n-hexane	17.82
ethylene glycol	27.68
NMP	508.69
cyclohexane	40.19
DMSO	181.52
n-butyl acetate	186.11
n-octanol	23.95
chloroform	922.66
n-propyl acetate	127.49
acetic acid	127.52
dichloromethane	846.31
cyclohexanone	424.35
propylene glycol	35.65
isopropyl acetate	183.65
DMAc	548.52
2-ethoxyethanol	130.78
isopentanol	115.13
n-heptane	12.3
ethyl formate	135.67
1,2-dichloroethane	611.02
n-hexanol	101.53
2-methoxyethanol	259.16
isobutyl acetate	112.28
tetrachloromethane	141.8
n-pentyl acetate	104.58
transcutol	412.57
n-heptanol	45.01
ethylbenzene	92.64
MIBK	153.68
2-propoxyethanol	243.12
tert-butanol	105.17
MTBE	196.25
2-butoxyethanol	122.09
propionic acid	112.84
o-xylene	151.74
formic acid	67.78
diethyl ether	268.21
m-xylene	191.63
p-xylene	130.78
chlorobenzene	370.48
dimethyl carbonate	223.28
n-octane	4.17
formamide	158.06
cyclopentanone	529.83
2-pentanone	227.0
anisole	209.86
cyclopentyl methyl ether	371.19
gamma-butyrolactone	528.52
1-methoxy-2-propanol	187.27
pyridine	488.88
3-pentanone	257.47
furfural	422.77
n-dodecane	2.46
diethylene glycol	152.82
diisopropyl ether	86.66
tert-amyl alcohol	99.85
acetylacetone	267.55
n-hexadecane	3.02
acetophenone	172.74
methyl propionate	280.19
isopentyl acetate	199.34
trichloroethylene	1000.24
n-nonanol	25.89
cyclohexanol	133.23
benzyl alcohol	120.15
2-ethylhexanol	63.61
isooctanol	40.85
dipropyl ether	109.77
1,2-dichlorobenzene	319.0
ethyl lactate	68.05
propylene carbonate	273.19
n-methylformamide	257.11
2-pentanol	78.57
n-pentane	21.62
1-propoxy-2-propanol	140.94
1-methoxy-2-propyl acetate	282.44
2-(2-methoxypropoxy) propanol	109.13
mesitylene	106.28
ε-caprolactone	334.0
p-cymene	64.31
epichlorohydrin	705.41
1,1,1-trichloroethane	466.68
2-aminoethanol	67.76
morpholine-4-carbaldehyde	508.42
sulfolane	487.42
2,2,4-trimethylpentane	13.63
2-methyltetrahydrofuran	412.32
n-hexyl acetate	103.82
isooctane	10.52
2-(2-butoxyethoxy)ethanol	138.02
sec-butyl acetate	112.73
tert-butyl acetate	212.91
decalin	18.73
glycerin	63.68
diglyme	298.99
acrylic acid	118.09
isopropyl myristate	45.28
n-butyric acid	172.6
acetyl acetate	184.56
di(2-ethylhexyl) phthalate	58.25
ethyl propionate	143.59
nitromethane	304.71
1,2-diethoxyethane	179.66
benzonitrile	178.94
trioctyl phosphate	37.1
1-bromopropane	284.66
gamma-valerolactone	596.11
n-decanol	19.09
triethyl phosphate	86.7
4-methyl-2-pentanol	60.65
propionitrile	184.17
vinylene carbonate	302.5
1,1,2-trichlorotrifluoroethane	359.2
DMS	187.46
cumene	63.3
2-octanol	24.61
2-hexanone	115.34
octyl acetate	54.29
limonene	77.33
1,2-dimethoxyethane	243.49
ethyl orthosilicate	88.08
tributyl phosphate	50.42
diacetone alcohol	161.67
N,N-dimethylaniline	136.91
acrylonitrile	216.92
aniline	286.84
1,3-propanediol	105.4
bromobenzene	411.08
dibromomethane	500.77
1,1,2,2-tetrachloroethane	741.67
2-methyl-cyclohexyl acetate	129.47
tetrabutyl urea	61.31
diisobutyl methanol	43.84
2-phenylethanol	156.66
styrene	121.17
dioctyl adipate	68.59
dimethyl sulfate	313.99
ethyl butyrate	138.91
methyl lactate	123.55
butyl lactate	81.99
diethyl carbonate	111.18
propanediol butyl ether	63.04
triethyl orthoformate	119.25
p-tert-butyltoluene	68.32
methyl 4-tert-butylbenzoate	140.53
morpholine	475.35
tert-butylamine	80.57
n-dodecanol	14.6
dimethoxymethane	471.33
ethylene carbonate	259.02
cyrene	130.49
2-ethoxyethyl acetate	191.05
2-ethylhexyl acetate	174.61
1,2,4-trichlorobenzene	359.19
4-methylpyridine	475.55
dibutyl ether	47.37
2,6-dimethyl-4-heptanol	43.84
DEF	308.4
dimethyl isosorbide	263.39
tetrachloroethylene	499.65
eugenol	122.3
triacetin	119.41
span 80	76.99
1,4-butanediol	35.89
1,1-dichloroethane	435.35
2-methyl-1-pentanol	71.47
methyl formate	183.15
2-methyl-1-butanol	109.8
n-decane	4.48
butyronitrile	147.59
3,7-dimethyl-1-octanol	35.9
1-chlorooctane	26.47
1-chlorotetradecane	10.58
n-nonane	3.94
undecane	3.18
tert-butylcyclohexane	15.5
cyclooctane	14.05
cyclopentanol	139.11
tetrahydropyran	436.73
tert-amyl methyl ether	151.8
2,5,8-trioxanonane	184.92
1-hexene	57.49
2-isopropoxyethanol	98.83
2,2,2-trifluoroethanol	99.46
methyl butyrate	152.94

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