2,7-dimethyl-1-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one

C16H15N3O — CID 13397837

IUPAC2,7-dimethyl-1-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one
SMILESCc1ccc(-n2c(C)nc(=O)c3ccc(C)nc32)cc1
InChIInChI=1S/C16H15N3O/c1-10-4-7-13(8-5-10)19-12(3)18-16(20)14-9-6-11(2)17-15(14)19/h4-9H,1-3H3
InChIKeyMAHZKQODLPGZAD-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.71
Rot. Bonds1

About 2,7-dimethyl-1-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one

2,7-dimethyl-1-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one (PubChem CID 13397837) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2,7-dimethyl-1-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2,7-dimethyl-1-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one
PubChem CID13397837
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2,7-dimethyl-1-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one
SMILESCc1ccc(-n2c(C)nc(=O)c3ccc(C)nc32)cc1
InChIInChI=1S/C16H15N3O/c1-10-4-7-13(8-5-10)19-12(3)18-16(20)14-9-6-11(2)17-15(14)19/h4-9H,1-3H3
InChIKeyMAHZKQODLPGZAD-UHFFFAOYSA-N
XLogP2.71
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-1-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2,7-dimethyl-1-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one (CID 13397837) is 2,7-dimethyl-1-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2,7-dimethyl-1-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2,7-dimethyl-1-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one is Cc1ccc(-n2c(C)nc(=O)c3ccc(C)nc32)cc1.
What is the InChIKey of 2,7-dimethyl-1-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is MAHZKQODLPGZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-10-4-7-13(8-5-10)19-12(3)18-16(20)14-9-6-11(2)17-15(14)19/h4-9H,1-3H3.
What are the key properties of 2,7-dimethyl-1-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one?
2,7-dimethyl-1-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 265.32 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-1-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 13397837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).