2,4-dimethyl-7-phenyl-8H-pyrido[2,3-d]pyrimidin-5-one

C15H13N3O — CID 5401039

IUPAC2,4-dimethyl-7-phenyl-8H-pyrido[2,3-d]pyrimidin-5-one
SMILESCc1nc(C)c2c(=O)cc(-c3ccccc3)[nH]c2n1
InChIInChI=1S/C15H13N3O/c1-9-14-13(19)8-12(11-6-4-3-5-7-11)18-15(14)17-10(2)16-9/h3-8H,1-2H3,(H,16,17,18,19)
InChIKeyWSWKTGGWKWOTTN-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.60
Rot. Bonds1

About 2,4-dimethyl-7-phenyl-8H-pyrido[2,3-d]pyrimidin-5-one

2,4-dimethyl-7-phenyl-8H-pyrido[2,3-d]pyrimidin-5-one (PubChem CID 5401039) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 2,4-dimethyl-7-phenyl-8H-pyrido[2,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2,4-dimethyl-7-phenyl-8H-pyrido[2,3-d]pyrimidin-5-one
PubChem CID5401039
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name2,4-dimethyl-7-phenyl-8H-pyrido[2,3-d]pyrimidin-5-one
SMILESCc1nc(C)c2c(=O)cc(-c3ccccc3)[nH]c2n1
InChIInChI=1S/C15H13N3O/c1-9-14-13(19)8-12(11-6-4-3-5-7-11)18-15(14)17-10(2)16-9/h3-8H,1-2H3,(H,16,17,18,19)
InChIKeyWSWKTGGWKWOTTN-UHFFFAOYSA-N
XLogP2.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-7-phenyl-8H-pyrido[2,3-d]pyrimidin-5-one?
The IUPAC name of 2,4-dimethyl-7-phenyl-8H-pyrido[2,3-d]pyrimidin-5-one (CID 5401039) is 2,4-dimethyl-7-phenyl-8H-pyrido[2,3-d]pyrimidin-5-one.
What is the SMILES notation for 2,4-dimethyl-7-phenyl-8H-pyrido[2,3-d]pyrimidin-5-one?
The canonical SMILES for 2,4-dimethyl-7-phenyl-8H-pyrido[2,3-d]pyrimidin-5-one is Cc1nc(C)c2c(=O)cc(-c3ccccc3)[nH]c2n1.
What is the InChIKey of 2,4-dimethyl-7-phenyl-8H-pyrido[2,3-d]pyrimidin-5-one?
The InChIKey is WSWKTGGWKWOTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-9-14-13(19)8-12(11-6-4-3-5-7-11)18-15(14)17-10(2)16-9/h3-8H,1-2H3,(H,16,17,18,19).
What are the key properties of 2,4-dimethyl-7-phenyl-8H-pyrido[2,3-d]pyrimidin-5-one?
2,4-dimethyl-7-phenyl-8H-pyrido[2,3-d]pyrimidin-5-one has a molecular weight of 251.29 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-7-phenyl-8H-pyrido[2,3-d]pyrimidin-5-one is sourced from PubChem (CID 5401039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).