Molecular formula
C19H24N2

SMILES
CC1(CCC2=C(C=C(C=C21)C(C)(C)C)C3=NC=NC=C3)C

Fragrance
Musk	52.95%
Animal	47.19%
Floral	43.86%
Fatty	40.24%
Amber	37.36%
Leathery	35.96%
Woody	35.03%
Vetiver	32.86%
Earthy	32.48%
Dry	32.3%

 

Flavor
Bitter	40.62%
Camphor	29.02%
Woody	27.42%
Musty	25.4%
Earth	22.49%
Green pepper	20.29%
Carrot	20.21%
Earthy	20.07%
Cedarleaf	19.89%
Thymol	19.57%

 

Odor impact est.
Medium

XLogP3-AA
5.2

pKa est.
6.15 (neutral)

Molecular weight
280.4 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
409°C

Flash point

• 166.56 ˚C est.

• SCHEMBL11907474
• KYGHUAXYYXBEQV-UHFFFAOYSA-N
• 4-(6-tert-butyl-1,1-dimethyl-indan-4-yl)-pyrimidine
• 4-[6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-inden-4-yl]-pyrimidine

4-(6-Tert-butyl-1,1-dimethyl-indan-4-yl)-pyrimidine is typically evaluated as a synthetic intermediate in medicinal chemistry, used to construct heteroaryl and indane-containing compounds for structure–activity exploration and optimization of physicochemical properties. It also serves as a building block for library generation in pharmaceutical research. In agrochemical research, it may be explored as a scaffold for lead compounds targeting biological pathways. In materials science, the indan-pyrimidine framework can be investigated as a precursor for organic electronic materials or dye chemistry, or as a functionalized scaffold for coatings and polymer additives, depending on the synthesis route. Usage is subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	69.46
methanol	46.33
isopropanol	53.49
water	0.16
ethyl acetate	122.23
n-propanol	92.26
acetone	100.45
n-butanol	85.05
acetonitrile	48.81
DMF	291.73
toluene	229.22
isobutanol	74.64
1,4-dioxane	210.45
methyl acetate	124.56
THF	419.05
2-butanone	173.72
n-pentanol	75.87
sec-butanol	67.85
n-hexane	10.33
ethylene glycol	15.03
NMP	218.61
cyclohexane	20.88
DMSO	87.0
n-butyl acetate	154.69
n-octanol	52.24
chloroform	398.88
n-propyl acetate	106.49
acetic acid	52.05
dichloromethane	337.58
cyclohexanone	252.51
propylene glycol	44.75
isopropyl acetate	96.58
DMAc	296.28
2-ethoxyethanol	94.51
isopentanol	74.89
n-heptane	13.68
ethyl formate	84.84
1,2-dichloroethane	183.99
n-hexanol	118.2
2-methoxyethanol	139.9
isobutyl acetate	115.01
tetrachloromethane	48.27
n-pentyl acetate	102.55
transcutol	236.69
n-heptanol	71.3
ethylbenzene	110.44
MIBK	96.13
2-propoxyethanol	200.35
tert-butanol	65.37
MTBE	89.24
2-butoxyethanol	118.9
propionic acid	65.26
o-xylene	117.7
formic acid	15.12
diethyl ether	80.86
m-xylene	137.72
p-xylene	164.7
chlorobenzene	199.14
dimethyl carbonate	81.79
n-octane	6.94
formamide	32.55
cyclopentanone	315.62
2-pentanone	132.01
anisole	169.86
cyclopentyl methyl ether	184.02
gamma-butyrolactone	263.53
1-methoxy-2-propanol	142.79
pyridine	315.72
3-pentanone	120.61
furfural	240.05
n-dodecane	5.92
diethylene glycol	98.9
diisopropyl ether	33.64
tert-amyl alcohol	72.1
acetylacetone	144.8
n-hexadecane	7.08
acetophenone	165.43
methyl propionate	144.76
isopentyl acetate	165.35
trichloroethylene	423.33
n-nonanol	53.3
cyclohexanol	84.1
benzyl alcohol	147.55
2-ethylhexanol	90.08
isooctanol	61.36
dipropyl ether	83.39
1,2-dichlorobenzene	160.73
ethyl lactate	66.73
propylene carbonate	175.97
n-methylformamide	88.49
2-pentanol	57.37
n-pentane	9.42
1-propoxy-2-propanol	155.4
1-methoxy-2-propyl acetate	190.36
2-(2-methoxypropoxy) propanol	117.29
mesitylene	70.23
ε-caprolactone	212.05
p-cymene	76.28
epichlorohydrin	327.2
1,1,1-trichloroethane	178.83
2-aminoethanol	44.68
morpholine-4-carbaldehyde	294.26
sulfolane	231.25
2,2,4-trimethylpentane	9.91
2-methyltetrahydrofuran	240.87
n-hexyl acetate	124.59
isooctane	6.62
2-(2-butoxyethoxy)ethanol	139.72
sec-butyl acetate	93.08
tert-butyl acetate	104.6
decalin	18.69
glycerin	49.6
diglyme	220.95
acrylic acid	57.71
isopropyl myristate	59.17
n-butyric acid	105.45
acetyl acetate	78.22
di(2-ethylhexyl) phthalate	77.02
ethyl propionate	94.73
nitromethane	91.28
1,2-diethoxyethane	108.44
benzonitrile	143.56
trioctyl phosphate	52.41
1-bromopropane	128.41
gamma-valerolactone	405.54
n-decanol	42.94
triethyl phosphate	63.14
4-methyl-2-pentanol	46.9
propionitrile	82.09
vinylene carbonate	174.38
1,1,2-trichlorotrifluoroethane	188.92
DMS	118.15
cumene	76.82
2-octanol	47.22
2-hexanone	117.07
octyl acetate	77.19
limonene	82.83
1,2-dimethoxyethane	162.87
ethyl orthosilicate	65.66
tributyl phosphate	58.39
diacetone alcohol	117.18
N,N-dimethylaniline	132.13
acrylonitrile	99.41
aniline	184.47
1,3-propanediol	58.06
bromobenzene	232.6
dibromomethane	212.6
1,1,2,2-tetrachloroethane	313.82
2-methyl-cyclohexyl acetate	133.85
tetrabutyl urea	76.58
diisobutyl methanol	46.44
2-phenylethanol	176.06
styrene	128.79
dioctyl adipate	87.07
dimethyl sulfate	97.58
ethyl butyrate	111.56
methyl lactate	83.1
butyl lactate	97.98
diethyl carbonate	76.5
propanediol butyl ether	98.14
triethyl orthoformate	91.12
p-tert-butyltoluene	72.42
methyl 4-tert-butylbenzoate	125.71
morpholine	264.9
tert-butylamine	44.33
n-dodecanol	34.7
dimethoxymethane	181.09
ethylene carbonate	132.38
cyrene	146.15
2-ethoxyethyl acetate	135.88
2-ethylhexyl acetate	148.36
1,2,4-trichlorobenzene	218.49
4-methylpyridine	323.14
dibutyl ether	60.72
2,6-dimethyl-4-heptanol	46.44
DEF	149.65
dimethyl isosorbide	241.09
tetrachloroethylene	170.03
eugenol	137.12
triacetin	115.06
span 80	115.6
1,4-butanediol	32.26
1,1-dichloroethane	177.55
2-methyl-1-pentanol	83.87
methyl formate	73.2
2-methyl-1-butanol	82.0
n-decane	9.59
butyronitrile	88.12
3,7-dimethyl-1-octanol	60.17
1-chlorooctane	45.24
1-chlorotetradecane	20.93
n-nonane	7.99
undecane	7.28
tert-butylcyclohexane	17.06
cyclooctane	8.84
cyclopentanol	94.7
tetrahydropyran	221.86
tert-amyl methyl ether	83.16
2,5,8-trioxanonane	165.1
1-hexene	48.63
2-isopropoxyethanol	83.29
2,2,2-trifluoroethanol	23.44
methyl butyrate	126.94

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