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

C16H17FN2OS2 — CID 7158686

IUPAC(6S)-3-(4-fluorophenyl)-6-methyl-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCCCSc1nc2c(c(=O)n1-c1ccc(F)cc1)S[C@@H](C)C2
InChIInChI=1S/C16H17FN2OS2/c1-3-8-21-16-18-13-9-10(2)22-14(13)15(20)19(16)12-6-4-11(17)5-7-12/h4-7,10H,3,8-9H2,1-2H3/t10-/m0/s1
InChIKeyUQHLHTVWRNETSI-JTQLQIEISA-N
MW336.46 g/mol
LogP3.91
Rot. Bonds4

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

(6S)-3-(4-fluorophenyl)-6-methyl-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (PubChem CID 7158686) has the molecular formula C16H17FN2OS2 and a molecular weight of 336.46 g/mol. Its IUPAC name is (6S)-3-(4-fluorophenyl)-6-methyl-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-3-(4-fluorophenyl)-6-methyl-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
PubChem CID7158686
Molecular FormulaC16H17FN2OS2
Molecular Weight336.46 g/mol
Exact Mass336.08
IUPAC Name(6S)-3-(4-fluorophenyl)-6-methyl-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCCCSc1nc2c(c(=O)n1-c1ccc(F)cc1)S[C@@H](C)C2
InChIInChI=1S/C16H17FN2OS2/c1-3-8-21-16-18-13-9-10(2)22-14(13)15(20)19(16)12-6-4-11(17)5-7-12/h4-7,10H,3,8-9H2,1-2H3/t10-/m0/s1
InChIKeyUQHLHTVWRNETSI-JTQLQIEISA-N
XLogP3.91
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6S)-3-(4-fluorophenyl)-6-methyl-2-(2-phenylethylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 8550020
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
N-(4-fluorophenyl)-2-[[6-methyl-3-(4-methylphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 4087465
2-butylsulfanyl-3-(3,5-dimethylphenyl)-6-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 4585984
methyl (2R)-2-[[(6S)-3-(4-fluorophenyl)-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]propanoate
CID 7158713
N-(4-ethoxyphenyl)-2-[[3-(4-fluorophenyl)-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 4609690
6-methyl-2-methylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 4068171
2-[[(6R)-6-methyl-3-(4-methylphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 7158561
N-(1,3-benzodioxol-5-yl)-2-[[(6S)-3-(4-fluorophenyl)-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 40625844
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

Frequently Asked Questions

What is the IUPAC name of (6S)-3-(4-fluorophenyl)-6-methyl-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The IUPAC name of (6S)-3-(4-fluorophenyl)-6-methyl-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (CID 7158686) is (6S)-3-(4-fluorophenyl)-6-methyl-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for (6S)-3-(4-fluorophenyl)-6-methyl-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for (6S)-3-(4-fluorophenyl)-6-methyl-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is CCCSc1nc2c(c(=O)n1-c1ccc(F)cc1)S[C@@H](C)C2.
What is the InChIKey of (6S)-3-(4-fluorophenyl)-6-methyl-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The InChIKey is UQHLHTVWRNETSI-JTQLQIEISA-N. The full InChI is InChI=1S/C16H17FN2OS2/c1-3-8-21-16-18-13-9-10(2)22-14(13)15(20)19(16)12-6-4-11(17)5-7-12/h4-7,10H,3,8-9H2,1-2H3/t10-/m0/s1.
What are the key properties of (6S)-3-(4-fluorophenyl)-6-methyl-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
(6S)-3-(4-fluorophenyl)-6-methyl-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one has a molecular weight of 336.46 g/mol, XLogP of 3.91, 4 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-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 7158686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).