Molecular formula
C9H12N2O

SMILES
CC1C2=CN=C(N=C2C(O1)C)C

Fragrance
Sweet	60.98%
Nutty	48.93%
Roasted	39.59%
Earthy	34.27%
Musty	31.99%
Powdery	30.76%
Burnt	29.12%
Vanilla	28.18%
Cocoa	28.17%
Chocolate	27.78%

 

Flavor
Bitter	46.67%
Roasted	41.59%
Nutty	41.46%
Earthy	37.14%
Musty	32.79%
Potato	31.58%
Cocoa	29.71%
Coffee	29.25%
Roast	27.72%
Burnt	26.58%

 

Odor impact est.
High

XLogP3-AA
0.7

pKa est.
4.73 (weak acid)

Molecular weight
164.2 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderate

Boiling point est.
218°C

Flash point

• 114.88 ˚C est.

• SCHEMBL11790663

2,5,7-Trimethyl-5,7-dihydrofuro[3,4-d]pyrimidine is viewed as a synthetic intermediate and building block in heterocyclic chemistry and fused-ring pyrimidine systems, commonly evaluated in pharmaceutical R&D as a scaffold for medicinal chemistry. It is primarily used as a precursor for the synthesis of complex fused-ring heterocycles and related pyrimidine derivatives, supporting library generation in drug discovery. In both academic and industrial settings, it can serve as an input starting material for the synthesis of related heterocyclic frameworks and derivatives, depending on the synthetic route and regulatory considerations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	121.26
methanol	210.31
isopropanol	87.51
water	17.34
ethyl acetate	76.82
n-propanol	114.42
acetone	77.33
n-butanol	93.29
acetonitrile	131.42
DMF	191.61
toluene	97.28
isobutanol	93.28
1,4-dioxane	188.32
methyl acetate	93.98
THF	173.77
2-butanone	81.47
n-pentanol	69.28
sec-butanol	86.15
n-hexane	7.55
ethylene glycol	100.64
NMP	184.86
cyclohexane	20.57
DMSO	163.81
n-butyl acetate	54.78
n-octanol	60.53
chloroform	503.55
n-propyl acetate	48.05
acetic acid	110.5
dichloromethane	504.38
cyclohexanone	140.6
propylene glycol	83.66
isopropyl acetate	44.55
DMAc	185.48
2-ethoxyethanol	106.75
isopentanol	72.42
n-heptane	10.72
ethyl formate	101.67
1,2-dichloroethane	189.99
n-hexanol	83.08
2-methoxyethanol	192.97
isobutyl acetate	38.48
tetrachloromethane	98.12
n-pentyl acetate	53.69
transcutol	152.05
n-heptanol	52.41
ethylbenzene	48.77
MIBK	44.48
2-propoxyethanol	137.99
tert-butanol	78.94
MTBE	48.11
2-butoxyethanol	86.38
propionic acid	103.74
o-xylene	68.44
formic acid	94.66
diethyl ether	59.32
m-xylene	63.07
p-xylene	70.27
chlorobenzene	143.11
dimethyl carbonate	56.56
n-octane	7.54
formamide	104.95
cyclopentanone	138.4
2-pentanone	59.54
anisole	86.36
cyclopentyl methyl ether	89.36
gamma-butyrolactone	184.51
1-methoxy-2-propanol	129.9
pyridine	200.87
3-pentanone	64.4
furfural	229.93
n-dodecane	9.4
diethylene glycol	150.12
diisopropyl ether	19.55
tert-amyl alcohol	74.58
acetylacetone	76.82
n-hexadecane	10.72
acetophenone	85.17
methyl propionate	86.92
isopentyl acetate	56.59
trichloroethylene	344.89
n-nonanol	53.53
cyclohexanol	97.77
benzyl alcohol	95.26
2-ethylhexanol	54.8
isooctanol	42.48
dipropyl ether	40.41
1,2-dichlorobenzene	137.15
ethyl lactate	54.46
propylene carbonate	126.99
n-methylformamide	136.0
2-pentanol	53.75
n-pentane	10.39
1-propoxy-2-propanol	79.92
1-methoxy-2-propyl acetate	70.63
2-(2-methoxypropoxy) propanol	78.0
mesitylene	38.38
ε-caprolactone	130.09
p-cymene	42.98
epichlorohydrin	210.33
1,1,1-trichloroethane	165.31
2-aminoethanol	120.03
morpholine-4-carbaldehyde	192.69
sulfolane	200.65
2,2,4-trimethylpentane	8.05
2-methyltetrahydrofuran	126.67
n-hexyl acetate	77.06
isooctane	5.05
2-(2-butoxyethoxy)ethanol	99.7
sec-butyl acetate	35.17
tert-butyl acetate	40.6
decalin	13.28
glycerin	120.18
diglyme	154.88
acrylic acid	111.27
isopropyl myristate	37.9
n-butyric acid	103.41
acetyl acetate	64.2
di(2-ethylhexyl) phthalate	52.0
ethyl propionate	51.82
nitromethane	147.92
1,2-diethoxyethane	60.44
benzonitrile	138.77
trioctyl phosphate	38.6
1-bromopropane	107.12
gamma-valerolactone	187.93
n-decanol	43.13
triethyl phosphate	42.04
4-methyl-2-pentanol	35.31
propionitrile	121.45
vinylene carbonate	160.47
1,1,2-trichlorotrifluoroethane	177.7
DMS	75.98
cumene	40.12
2-octanol	40.1
2-hexanone	47.7
octyl acetate	49.92
limonene	48.38
1,2-dimethoxyethane	135.45
ethyl orthosilicate	38.58
tributyl phosphate	41.87
diacetone alcohol	61.06
N,N-dimethylaniline	68.53
acrylonitrile	153.02
aniline	105.91
1,3-propanediol	119.12
bromobenzene	154.22
dibromomethane	299.75
1,1,2,2-tetrachloroethane	248.68
2-methyl-cyclohexyl acetate	55.19
tetrabutyl urea	53.31
diisobutyl methanol	31.47
2-phenylethanol	94.03
styrene	58.1
dioctyl adipate	52.45
dimethyl sulfate	89.2
ethyl butyrate	50.85
methyl lactate	74.88
butyl lactate	56.6
diethyl carbonate	48.61
propanediol butyl ether	80.61
triethyl orthoformate	44.69
p-tert-butyltoluene	38.63
methyl 4-tert-butylbenzoate	81.37
morpholine	168.82
tert-butylamine	57.54
n-dodecanol	35.67
dimethoxymethane	130.68
ethylene carbonate	123.87
cyrene	90.26
2-ethoxyethyl acetate	69.7
2-ethylhexyl acetate	49.07
1,2,4-trichlorobenzene	149.16
4-methylpyridine	169.51
dibutyl ether	44.62
2,6-dimethyl-4-heptanol	31.47
DEF	95.99
dimethyl isosorbide	121.58
tetrachloroethylene	198.55
eugenol	91.61
triacetin	69.5
span 80	72.16
1,4-butanediol	71.49
1,1-dichloroethane	174.33
2-methyl-1-pentanol	65.2
methyl formate	120.03
2-methyl-1-butanol	81.9
n-decane	13.19
butyronitrile	104.59
3,7-dimethyl-1-octanol	52.45
1-chlorooctane	41.64
1-chlorotetradecane	22.65
n-nonane	12.15
undecane	10.93
tert-butylcyclohexane	11.27
cyclooctane	8.5
cyclopentanol	113.32
tetrahydropyran	123.12
tert-amyl methyl ether	48.3
2,5,8-trioxanonane	122.12
1-hexene	25.1
2-isopropoxyethanol	72.42
2,2,2-trifluoroethanol	81.05
methyl butyrate	67.67

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