2-methylsulfanyl-8-[(2S)-1,1,1-trifluoropropan-2-yl]pyrido[2,3-d]pyrimidin-7-one

C11H10F3N3OS — CID 150178400

IUPAC2-methylsulfanyl-8-[(2S)-1,1,1-trifluoropropan-2-yl]pyrido[2,3-d]pyrimidin-7-one
SMILESCSc1ncc2ccc(=O)n([C@@H](C)C(F)(F)F)c2n1
InChIInChI=1S/C11H10F3N3OS/c1-6(11(12,13)14)17-8(18)4-3-7-5-15-10(19-2)16-9(7)17/h3-6H,1-2H3/t6-/m0/s1
InChIKeyFKXAGMNHEXJJIE-LURJTMIESA-N
MW289.28 g/mol
LogP2.64
Rot. Bonds2

About 2-methylsulfanyl-8-[(2S)-1,1,1-trifluoropropan-2-yl]pyrido[2,3-d]pyrimidin-7-one

2-methylsulfanyl-8-[(2S)-1,1,1-trifluoropropan-2-yl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 150178400) has the molecular formula C11H10F3N3OS and a molecular weight of 289.28 g/mol. Its IUPAC name is 2-methylsulfanyl-8-[(2S)-1,1,1-trifluoropropan-2-yl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-methylsulfanyl-8-[(2S)-1,1,1-trifluoropropan-2-yl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID150178400
Molecular FormulaC11H10F3N3OS
Molecular Weight289.28 g/mol
Exact Mass289.05
IUPAC Name2-methylsulfanyl-8-[(2S)-1,1,1-trifluoropropan-2-yl]pyrido[2,3-d]pyrimidin-7-one
SMILESCSc1ncc2ccc(=O)n([C@@H](C)C(F)(F)F)c2n1
InChIInChI=1S/C11H10F3N3OS/c1-6(11(12,13)14)17-8(18)4-3-7-5-15-10(19-2)16-9(7)17/h3-6H,1-2H3/t6-/m0/s1
InChIKeyFKXAGMNHEXJJIE-LURJTMIESA-N
XLogP2.64
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-8-[(2S)-1,1,1-trifluoropropan-2-yl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-methylsulfanyl-8-[(2S)-1,1,1-trifluoropropan-2-yl]pyrido[2,3-d]pyrimidin-7-one (CID 150178400) is 2-methylsulfanyl-8-[(2S)-1,1,1-trifluoropropan-2-yl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-methylsulfanyl-8-[(2S)-1,1,1-trifluoropropan-2-yl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-methylsulfanyl-8-[(2S)-1,1,1-trifluoropropan-2-yl]pyrido[2,3-d]pyrimidin-7-one is CSc1ncc2ccc(=O)n([C@@H](C)C(F)(F)F)c2n1.
What is the InChIKey of 2-methylsulfanyl-8-[(2S)-1,1,1-trifluoropropan-2-yl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is FKXAGMNHEXJJIE-LURJTMIESA-N. The full InChI is InChI=1S/C11H10F3N3OS/c1-6(11(12,13)14)17-8(18)4-3-7-5-15-10(19-2)16-9(7)17/h3-6H,1-2H3/t6-/m0/s1.
What are the key properties of 2-methylsulfanyl-8-[(2S)-1,1,1-trifluoropropan-2-yl]pyrido[2,3-d]pyrimidin-7-one?
2-methylsulfanyl-8-[(2S)-1,1,1-trifluoropropan-2-yl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 289.28 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-8-[(2S)-1,1,1-trifluoropropan-2-yl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 150178400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).