2-(2,3-dimethylphenyl)-5,7-dimethyl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one

C17H19N3O — CID 42597570

IUPAC2-(2,3-dimethylphenyl)-5,7-dimethyl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
SMILESCc1cc(C)c2c(n1)NC(c1cccc(C)c1C)NC2=O
InChIInChI=1S/C17H19N3O/c1-9-6-5-7-13(12(9)4)15-19-16-14(17(21)20-15)10(2)8-11(3)18-16/h5-8,15H,1-4H3,(H,18,19)(H,20,21)
InChIKeyOHSCVMLXEGWMLL-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.17
Rot. Bonds1

About 2-(2,3-dimethylphenyl)-5,7-dimethyl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one

2-(2,3-dimethylphenyl)-5,7-dimethyl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 42597570) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(2,3-dimethylphenyl)-5,7-dimethyl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2,3-dimethylphenyl)-5,7-dimethyl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID42597570
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-(2,3-dimethylphenyl)-5,7-dimethyl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
SMILESCc1cc(C)c2c(n1)NC(c1cccc(C)c1C)NC2=O
InChIInChI=1S/C17H19N3O/c1-9-6-5-7-13(12(9)4)15-19-16-14(17(21)20-15)10(2)8-11(3)18-16/h5-8,15H,1-4H3,(H,18,19)(H,20,21)
InChIKeyOHSCVMLXEGWMLL-UHFFFAOYSA-N
XLogP3.17
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenyl)-5,7-dimethyl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(2,3-dimethylphenyl)-5,7-dimethyl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one (CID 42597570) is 2-(2,3-dimethylphenyl)-5,7-dimethyl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2,3-dimethylphenyl)-5,7-dimethyl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(2,3-dimethylphenyl)-5,7-dimethyl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one is Cc1cc(C)c2c(n1)NC(c1cccc(C)c1C)NC2=O.
What is the InChIKey of 2-(2,3-dimethylphenyl)-5,7-dimethyl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is OHSCVMLXEGWMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-9-6-5-7-13(12(9)4)15-19-16-14(17(21)20-15)10(2)8-11(3)18-16/h5-8,15H,1-4H3,(H,18,19)(H,20,21).
What are the key properties of 2-(2,3-dimethylphenyl)-5,7-dimethyl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
2-(2,3-dimethylphenyl)-5,7-dimethyl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 281.36 g/mol, XLogP of 3.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenyl)-5,7-dimethyl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 42597570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).