6-(2,4-difluoro-N-methylanilino)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one

C16H14F2N4OS — CID 23434585

IUPAC6-(2,4-difluoro-N-methylanilino)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
SMILESCSc1ncc2cc(N(C)c3ccc(F)cc3F)c(=O)n(C)c2n1
InChIInChI=1S/C16H14F2N4OS/c1-21(12-5-4-10(17)7-11(12)18)13-6-9-8-19-16(24-3)20-14(9)22(2)15(13)23/h4-8H,1-3H3
InChIKeyNEZROUPXRYUIIU-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.10
Rot. Bonds3

About 6-(2,4-difluoro-N-methylanilino)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one

6-(2,4-difluoro-N-methylanilino)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 23434585) has the molecular formula C16H14F2N4OS and a molecular weight of 348.38 g/mol. Its IUPAC name is 6-(2,4-difluoro-N-methylanilino)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,4-difluoro-N-methylanilino)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
PubChem CID23434585
Molecular FormulaC16H14F2N4OS
Molecular Weight348.38 g/mol
Exact Mass348.09
IUPAC Name6-(2,4-difluoro-N-methylanilino)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
SMILESCSc1ncc2cc(N(C)c3ccc(F)cc3F)c(=O)n(C)c2n1
InChIInChI=1S/C16H14F2N4OS/c1-21(12-5-4-10(17)7-11(12)18)13-6-9-8-19-16(24-3)20-14(9)22(2)15(13)23/h4-8H,1-3H3
InChIKeyNEZROUPXRYUIIU-UHFFFAOYSA-N
XLogP3.10
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluoro-N-methylanilino)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,4-difluoro-N-methylanilino)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one (CID 23434585) is 6-(2,4-difluoro-N-methylanilino)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,4-difluoro-N-methylanilino)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,4-difluoro-N-methylanilino)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one is CSc1ncc2cc(N(C)c3ccc(F)cc3F)c(=O)n(C)c2n1.
What is the InChIKey of 6-(2,4-difluoro-N-methylanilino)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is NEZROUPXRYUIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4OS/c1-21(12-5-4-10(17)7-11(12)18)13-6-9-8-19-16(24-3)20-14(9)22(2)15(13)23/h4-8H,1-3H3.
What are the key properties of 6-(2,4-difluoro-N-methylanilino)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
6-(2,4-difluoro-N-methylanilino)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 348.38 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluoro-N-methylanilino)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 23434585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).