2-methyl-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one

C13H15N3O2 — CID 175812147

IUPAC2-methyl-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1ncc2ccc(=O)n(C3CCOCC3)c2n1
InChIInChI=1S/C13H15N3O2/c1-9-14-8-10-2-3-12(17)16(13(10)15-9)11-4-6-18-7-5-11/h2-3,8,11H,4-7H2,1H3
InChIKeyRYDHLQSQJIARHT-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.45
Rot. Bonds1

About 2-methyl-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one

2-methyl-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 175812147) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-methyl-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-methyl-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID175812147
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-methyl-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1ncc2ccc(=O)n(C3CCOCC3)c2n1
InChIInChI=1S/C13H15N3O2/c1-9-14-8-10-2-3-12(17)16(13(10)15-9)11-4-6-18-7-5-11/h2-3,8,11H,4-7H2,1H3
InChIKeyRYDHLQSQJIARHT-UHFFFAOYSA-N
XLogP1.45
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-cyclopentyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one
CID 10826395
8-cyclohexyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one
CID 10661257
8-cyclohexyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
CID 146673939
8-cyclopentyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 5330331
8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one
CID 18375181
6-(2-methylphenyl)-2-methylsulfanyl-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one
CID 68927411
2-[[2-methyl-9-(oxan-4-yl)purin-8-yl]amino]ethanol
CID 166810736
8-cyclopentyl-2-(2-methyl-4-sulfanylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 166117995
2-(oxan-4-ylamino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 122178088
1-(oxolan-3-yl)-1,6-naphthyridin-2-one
CID 154465710
8-(4-methylcyclohexyl)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 18374881
8-cyclopentyl-2-[[1-(oxetan-3-ylsulfonyl)piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 166903959

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-methyl-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one (CID 175812147) is 2-methyl-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-methyl-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-methyl-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one is Cc1ncc2ccc(=O)n(C3CCOCC3)c2n1.
What is the InChIKey of 2-methyl-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is RYDHLQSQJIARHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-14-8-10-2-3-12(17)16(13(10)15-9)11-4-6-18-7-5-11/h2-3,8,11H,4-7H2,1H3.
What are the key properties of 2-methyl-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one?
2-methyl-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 245.28 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 175812147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).