6-[(2-fluorophenyl)methyl]-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one

C16H14FN3OS — CID 20626962

IUPAC6-[(2-fluorophenyl)methyl]-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
SMILESCSc1ncc2cc(Cc3ccccc3F)c(=O)n(C)c2n1
InChIInChI=1S/C16H14FN3OS/c1-20-14-12(9-18-16(19-14)22-2)8-11(15(20)21)7-10-5-3-4-6-13(10)17/h3-6,8-9H,7H2,1-2H3
InChIKeyBCXIKWPYSUBHRV-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.78
Rot. Bonds3

About 6-[(2-fluorophenyl)methyl]-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one

6-[(2-fluorophenyl)methyl]-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 20626962) has the molecular formula C16H14FN3OS and a molecular weight of 315.37 g/mol. Its IUPAC name is 6-[(2-fluorophenyl)methyl]-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[(2-fluorophenyl)methyl]-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
PubChem CID20626962
Molecular FormulaC16H14FN3OS
Molecular Weight315.37 g/mol
Exact Mass315.08
IUPAC Name6-[(2-fluorophenyl)methyl]-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
SMILESCSc1ncc2cc(Cc3ccccc3F)c(=O)n(C)c2n1
InChIInChI=1S/C16H14FN3OS/c1-20-14-12(9-18-16(19-14)22-2)8-11(15(20)21)7-10-5-3-4-6-13(10)17/h3-6,8-9H,7H2,1-2H3
InChIKeyBCXIKWPYSUBHRV-UHFFFAOYSA-N
XLogP2.78
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorophenyl)methyl]-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-[(2-fluorophenyl)methyl]-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one (CID 20626962) is 6-[(2-fluorophenyl)methyl]-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-[(2-fluorophenyl)methyl]-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-[(2-fluorophenyl)methyl]-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one is CSc1ncc2cc(Cc3ccccc3F)c(=O)n(C)c2n1.
What is the InChIKey of 6-[(2-fluorophenyl)methyl]-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is BCXIKWPYSUBHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3OS/c1-20-14-12(9-18-16(19-14)22-2)8-11(15(20)21)7-10-5-3-4-6-13(10)17/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 6-[(2-fluorophenyl)methyl]-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
6-[(2-fluorophenyl)methyl]-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 315.37 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluorophenyl)methyl]-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 20626962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).