8-[(2S)-1-fluoropropan-2-yl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one

C11H12FN3OS — CID 150002915

IUPAC8-[(2S)-1-fluoropropan-2-yl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
SMILESCSc1ncc2ccc(=O)n([C@@H](C)CF)c2n1
InChIInChI=1S/C11H12FN3OS/c1-7(5-12)15-9(16)4-3-8-6-13-11(17-2)14-10(8)15/h3-4,6-7H,5H2,1-2H3/t7-/m0/s1
InChIKeyDBRIKMCMPBFRMJ-ZETCQYMHSA-N
MW253.30 g/mol
LogP2.04
Rot. Bonds3

About 8-[(2S)-1-fluoropropan-2-yl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one

8-[(2S)-1-fluoropropan-2-yl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 150002915) has the molecular formula C11H12FN3OS and a molecular weight of 253.30 g/mol. Its IUPAC name is 8-[(2S)-1-fluoropropan-2-yl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-[(2S)-1-fluoropropan-2-yl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
PubChem CID150002915
Molecular FormulaC11H12FN3OS
Molecular Weight253.30 g/mol
Exact Mass253.07
IUPAC Name8-[(2S)-1-fluoropropan-2-yl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
SMILESCSc1ncc2ccc(=O)n([C@@H](C)CF)c2n1
InChIInChI=1S/C11H12FN3OS/c1-7(5-12)15-9(16)4-3-8-6-13-11(17-2)14-10(8)15/h3-4,6-7H,5H2,1-2H3/t7-/m0/s1
InChIKeyDBRIKMCMPBFRMJ-ZETCQYMHSA-N
XLogP2.04
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(2S)-1-fluoropropan-2-yl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-[(2S)-1-fluoropropan-2-yl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one (CID 150002915) is 8-[(2S)-1-fluoropropan-2-yl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-[(2S)-1-fluoropropan-2-yl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-[(2S)-1-fluoropropan-2-yl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one is CSc1ncc2ccc(=O)n([C@@H](C)CF)c2n1.
What is the InChIKey of 8-[(2S)-1-fluoropropan-2-yl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is DBRIKMCMPBFRMJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H12FN3OS/c1-7(5-12)15-9(16)4-3-8-6-13-11(17-2)14-10(8)15/h3-4,6-7H,5H2,1-2H3/t7-/m0/s1.
What are the key properties of 8-[(2S)-1-fluoropropan-2-yl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
8-[(2S)-1-fluoropropan-2-yl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 253.30 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2S)-1-fluoropropan-2-yl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 150002915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).