3-amino-2-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one

C14H12N4O — CID 71741975

IUPAC3-amino-2-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one
SMILESCc1ccc(-c2nc3ncccc3c(=O)n2N)cc1
InChIInChI=1S/C14H12N4O/c1-9-4-6-10(7-5-9)13-17-12-11(3-2-8-16-12)14(19)18(13)15/h2-8H,15H2,1H3
InChIKeyBGEFHKKZUJMZQM-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.48
Rot. Bonds1

About 3-amino-2-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one

3-amino-2-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one (PubChem CID 71741975) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 3-amino-2-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-amino-2-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one
PubChem CID71741975
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name3-amino-2-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one
SMILESCc1ccc(-c2nc3ncccc3c(=O)n2N)cc1
InChIInChI=1S/C14H12N4O/c1-9-4-6-10(7-5-9)13-17-12-11(3-2-8-16-12)14(19)18(13)15/h2-8H,15H2,1H3
InChIKeyBGEFHKKZUJMZQM-UHFFFAOYSA-N
XLogP1.48
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-amino-2-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one (CID 71741975) is 3-amino-2-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-amino-2-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-amino-2-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one is Cc1ccc(-c2nc3ncccc3c(=O)n2N)cc1.
What is the InChIKey of 3-amino-2-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is BGEFHKKZUJMZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-9-4-6-10(7-5-9)13-17-12-11(3-2-8-16-12)14(19)18(13)15/h2-8H,15H2,1H3.
What are the key properties of 3-amino-2-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one?
3-amino-2-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 252.28 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-methylphenyl)pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 71741975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).