2-(3-methoxyphenyl)-7,7-dimethyl-4-methylsulfanyl-5,8-dihydropyrano[4,3-d]pyrimidine

C17H20N2O2S — CID 4903472

IUPAC2-(3-methoxyphenyl)-7,7-dimethyl-4-methylsulfanyl-5,8-dihydropyrano[4,3-d]pyrimidine
SMILESCOc1cccc(-c2nc3c(c(SC)n2)COC(C)(C)C3)c1
InChIInChI=1S/C17H20N2O2S/c1-17(2)9-14-13(10-21-17)16(22-4)19-15(18-14)11-6-5-7-12(8-11)20-3/h5-8H,9-10H2,1-4H3
InChIKeyGESWYLFETQEAFA-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.73
Rot. Bonds3

About 2-(3-methoxyphenyl)-7,7-dimethyl-4-methylsulfanyl-5,8-dihydropyrano[4,3-d]pyrimidine

2-(3-methoxyphenyl)-7,7-dimethyl-4-methylsulfanyl-5,8-dihydropyrano[4,3-d]pyrimidine (PubChem CID 4903472) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-7,7-dimethyl-4-methylsulfanyl-5,8-dihydropyrano[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-7,7-dimethyl-4-methylsulfanyl-5,8-dihydropyrano[4,3-d]pyrimidine
PubChem CID4903472
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name2-(3-methoxyphenyl)-7,7-dimethyl-4-methylsulfanyl-5,8-dihydropyrano[4,3-d]pyrimidine
SMILESCOc1cccc(-c2nc3c(c(SC)n2)COC(C)(C)C3)c1
InChIInChI=1S/C17H20N2O2S/c1-17(2)9-14-13(10-21-17)16(22-4)19-15(18-14)11-6-5-7-12(8-11)20-3/h5-8H,9-10H2,1-4H3
InChIKeyGESWYLFETQEAFA-UHFFFAOYSA-N
XLogP3.73
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3-methoxyphenyl)-7,7-dimethyl-4-methylsulfanyl-5,8-dihydropyrano[4,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(3-methoxyphenyl)-7,7-dimethyl-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 4907783
N-(4-ethoxyphenyl)-2-[[2-(3-methoxyphenyl)-7,7-dimethyl-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl]sulfanyl]acetamide
CID 4912131
pentyl 2-[(7,7-dimethyl-2-phenyl-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl)sulfanyl]acetate
CID 4905660
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
2,4-bis(3-methoxyphenyl)-6-[4-[4-[4-(3-methoxyphenyl)-6-(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 20652055
4,6-dichloro-5-fluoro-2-(3-methoxyphenyl)pyrimidine
CID 80550230
2-(3-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 62192962
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 57176807
4-ethyl-2-(3-methoxyphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742485
5-cyclopropyl-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 19658006
2-[[7,7-dimethyl-2-(4-methylphenyl)-5,8-dihydropyrano[4,3-d]pyrimidin-4-yl]sulfanyl]-N-phenylacetamide
CID 4870648

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-7,7-dimethyl-4-methylsulfanyl-5,8-dihydropyrano[4,3-d]pyrimidine?
The IUPAC name of 2-(3-methoxyphenyl)-7,7-dimethyl-4-methylsulfanyl-5,8-dihydropyrano[4,3-d]pyrimidine (CID 4903472) is 2-(3-methoxyphenyl)-7,7-dimethyl-4-methylsulfanyl-5,8-dihydropyrano[4,3-d]pyrimidine.
What is the SMILES notation for 2-(3-methoxyphenyl)-7,7-dimethyl-4-methylsulfanyl-5,8-dihydropyrano[4,3-d]pyrimidine?
The canonical SMILES for 2-(3-methoxyphenyl)-7,7-dimethyl-4-methylsulfanyl-5,8-dihydropyrano[4,3-d]pyrimidine is COc1cccc(-c2nc3c(c(SC)n2)COC(C)(C)C3)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-7,7-dimethyl-4-methylsulfanyl-5,8-dihydropyrano[4,3-d]pyrimidine?
The InChIKey is GESWYLFETQEAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-17(2)9-14-13(10-21-17)16(22-4)19-15(18-14)11-6-5-7-12(8-11)20-3/h5-8H,9-10H2,1-4H3.
What are the key properties of 2-(3-methoxyphenyl)-7,7-dimethyl-4-methylsulfanyl-5,8-dihydropyrano[4,3-d]pyrimidine?
2-(3-methoxyphenyl)-7,7-dimethyl-4-methylsulfanyl-5,8-dihydropyrano[4,3-d]pyrimidine has a molecular weight of 316.43 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-7,7-dimethyl-4-methylsulfanyl-5,8-dihydropyrano[4,3-d]pyrimidine is sourced from PubChem (CID 4903472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).