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

C19H16FN3OS2 — CID 16820173

IUPAC3-(4-fluorophenyl)-6-methyl-2-(pyridin-2-ylmethylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCC1Cc2nc(SCc3ccccn3)n(-c3ccc(F)cc3)c(=O)c2S1
InChIInChI=1S/C19H16FN3OS2/c1-12-10-16-17(26-12)18(24)23(15-7-5-13(20)6-8-15)19(22-16)25-11-14-4-2-3-9-21-14/h2-9,12H,10-11H2,1H3
InChIKeyJBKBLEUYEBFOFX-UHFFFAOYSA-N
MW385.49 g/mol
LogP4.10
Rot. Bonds4

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

3-(4-fluorophenyl)-6-methyl-2-(pyridin-2-ylmethylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (PubChem CID 16820173) has the molecular formula C19H16FN3OS2 and a molecular weight of 385.49 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-6-methyl-2-(pyridin-2-ylmethylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-6-methyl-2-(pyridin-2-ylmethylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
PubChem CID16820173
Molecular FormulaC19H16FN3OS2
Molecular Weight385.49 g/mol
Exact Mass385.07
IUPAC Name3-(4-fluorophenyl)-6-methyl-2-(pyridin-2-ylmethylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCC1Cc2nc(SCc3ccccn3)n(-c3ccc(F)cc3)c(=O)c2S1
InChIInChI=1S/C19H16FN3OS2/c1-12-10-16-17(26-12)18(24)23(15-7-5-13(20)6-8-15)19(22-16)25-11-14-4-2-3-9-21-14/h2-9,12H,10-11H2,1H3
InChIKeyJBKBLEUYEBFOFX-UHFFFAOYSA-N
XLogP4.10
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-6-methyl-2-(pyridin-2-ylmethylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(4-fluorophenyl)-6-methyl-2-(pyridin-2-ylmethylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (CID 16820173) is 3-(4-fluorophenyl)-6-methyl-2-(pyridin-2-ylmethylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(4-fluorophenyl)-6-methyl-2-(pyridin-2-ylmethylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(4-fluorophenyl)-6-methyl-2-(pyridin-2-ylmethylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is CC1Cc2nc(SCc3ccccn3)n(-c3ccc(F)cc3)c(=O)c2S1.
What is the InChIKey of 3-(4-fluorophenyl)-6-methyl-2-(pyridin-2-ylmethylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The InChIKey is JBKBLEUYEBFOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3OS2/c1-12-10-16-17(26-12)18(24)23(15-7-5-13(20)6-8-15)19(22-16)25-11-14-4-2-3-9-21-14/h2-9,12H,10-11H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-6-methyl-2-(pyridin-2-ylmethylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
3-(4-fluorophenyl)-6-methyl-2-(pyridin-2-ylmethylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one has a molecular weight of 385.49 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-6-methyl-2-(pyridin-2-ylmethylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 16820173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).