(6S)-3-(4-fluorophenyl)-6-methyl-2-(2-phenylethylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one

C21H19FN2OS2 — CID 8550020

IUPAC(6S)-3-(4-fluorophenyl)-6-methyl-2-(2-phenylethylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESC[C@H]1Cc2nc(SCCc3ccccc3)n(-c3ccc(F)cc3)c(=O)c2S1
InChIInChI=1S/C21H19FN2OS2/c1-14-13-18-19(27-14)20(25)24(17-9-7-16(22)8-10-17)21(23-18)26-12-11-15-5-3-2-4-6-15/h2-10,14H,11-13H2,1H3/t14-/m0/s1
InChIKeyDEAGFYWUKRMOOG-AWEZNQCLSA-N
MW398.53 g/mol
LogP4.74
Rot. Bonds5

About (6S)-3-(4-fluorophenyl)-6-methyl-2-(2-phenylethylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one

(6S)-3-(4-fluorophenyl)-6-methyl-2-(2-phenylethylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (PubChem CID 8550020) has the molecular formula C21H19FN2OS2 and a molecular weight of 398.53 g/mol. Its IUPAC name is (6S)-3-(4-fluorophenyl)-6-methyl-2-(2-phenylethylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-3-(4-fluorophenyl)-6-methyl-2-(2-phenylethylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
PubChem CID8550020
Molecular FormulaC21H19FN2OS2
Molecular Weight398.53 g/mol
Exact Mass398.09
IUPAC Name(6S)-3-(4-fluorophenyl)-6-methyl-2-(2-phenylethylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESC[C@H]1Cc2nc(SCCc3ccccc3)n(-c3ccc(F)cc3)c(=O)c2S1
InChIInChI=1S/C21H19FN2OS2/c1-14-13-18-19(27-14)20(25)24(17-9-7-16(22)8-10-17)21(23-18)26-12-11-15-5-3-2-4-6-15/h2-10,14H,11-13H2,1H3/t14-/m0/s1
InChIKeyDEAGFYWUKRMOOG-AWEZNQCLSA-N
XLogP4.74
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6S)-3-(4-fluorophenyl)-6-methyl-2-(2-phenylethylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one 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

(6S)-3-(4-fluorophenyl)-6-methyl-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 7158686
2-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-3-(4-fluorophenyl)-6-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 121032544
2-[[3-(4-fluorophenyl)-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 4146587
6-methyl-2-methylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 4068171
2-[[(6R)-6-methyl-4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 7158516
(6R)-6-methyl-2-phenacylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 7158554
N-(4-fluorophenyl)-2-[[6-methyl-3-(4-methylphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 4087465
(6S)-6-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 7158487
methyl (2R)-2-[[(6S)-3-(4-fluorophenyl)-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]propanoate
CID 7158713
6-methyl-3-(4-methylphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 4285467
N-(2-fluorophenyl)-2-[[6-methyl-3-(4-methylphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 4607906
N-(4-ethoxyphenyl)-2-[[3-(4-fluorophenyl)-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 4609690

Frequently Asked Questions

What is the IUPAC name of (6S)-3-(4-fluorophenyl)-6-methyl-2-(2-phenylethylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The IUPAC name of (6S)-3-(4-fluorophenyl)-6-methyl-2-(2-phenylethylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (CID 8550020) is (6S)-3-(4-fluorophenyl)-6-methyl-2-(2-phenylethylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for (6S)-3-(4-fluorophenyl)-6-methyl-2-(2-phenylethylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for (6S)-3-(4-fluorophenyl)-6-methyl-2-(2-phenylethylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is C[C@H]1Cc2nc(SCCc3ccccc3)n(-c3ccc(F)cc3)c(=O)c2S1.
What is the InChIKey of (6S)-3-(4-fluorophenyl)-6-methyl-2-(2-phenylethylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The InChIKey is DEAGFYWUKRMOOG-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H19FN2OS2/c1-14-13-18-19(27-14)20(25)24(17-9-7-16(22)8-10-17)21(23-18)26-12-11-15-5-3-2-4-6-15/h2-10,14H,11-13H2,1H3/t14-/m0/s1.
What are the key properties of (6S)-3-(4-fluorophenyl)-6-methyl-2-(2-phenylethylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
(6S)-3-(4-fluorophenyl)-6-methyl-2-(2-phenylethylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one has a molecular weight of 398.53 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-(4-fluorophenyl)-6-methyl-2-(2-phenylethylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 8550020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).