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

C14H12N4O — CID 155363926

IUPAC8-amino-2-(3-methylphenyl)-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCc1cccc(-c2nc3c(N)nccc3c(=O)[nH]2)c1
InChIInChI=1S/C14H12N4O/c1-8-3-2-4-9(7-8)13-17-11-10(14(19)18-13)5-6-16-12(11)15/h2-7H,1H3,(H2,15,16)(H,17,18,19)
InChIKeyUIJSTOQSJOEMTN-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.88
Rot. Bonds1

About 8-amino-2-(3-methylphenyl)-3H-pyrido[3,4-d]pyrimidin-4-one

8-amino-2-(3-methylphenyl)-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 155363926) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 8-amino-2-(3-methylphenyl)-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name8-amino-2-(3-methylphenyl)-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID155363926
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name8-amino-2-(3-methylphenyl)-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCc1cccc(-c2nc3c(N)nccc3c(=O)[nH]2)c1
InChIInChI=1S/C14H12N4O/c1-8-3-2-4-9(7-8)13-17-11-10(14(19)18-13)5-6-16-12(11)15/h2-7H,1H3,(H2,15,16)(H,17,18,19)
InChIKeyUIJSTOQSJOEMTN-UHFFFAOYSA-N
XLogP1.88
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-amino-2-(3-methylphenyl)-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 8-amino-2-(3-methylphenyl)-3H-pyrido[3,4-d]pyrimidin-4-one (CID 155363926) is 8-amino-2-(3-methylphenyl)-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 8-amino-2-(3-methylphenyl)-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 8-amino-2-(3-methylphenyl)-3H-pyrido[3,4-d]pyrimidin-4-one is Cc1cccc(-c2nc3c(N)nccc3c(=O)[nH]2)c1.
What is the InChIKey of 8-amino-2-(3-methylphenyl)-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is UIJSTOQSJOEMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-8-3-2-4-9(7-8)13-17-11-10(14(19)18-13)5-6-16-12(11)15/h2-7H,1H3,(H2,15,16)(H,17,18,19).
What are the key properties of 8-amino-2-(3-methylphenyl)-3H-pyrido[3,4-d]pyrimidin-4-one?
8-amino-2-(3-methylphenyl)-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 252.28 g/mol, XLogP of 1.88, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-2-(3-methylphenyl)-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 155363926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).