5-amino-1-benzylpyrido[4,3-d]pyrimidin-4-one

C14H12N4O — CID 13258439

IUPAC5-amino-1-benzylpyrido[4,3-d]pyrimidin-4-one
SMILESNc1nccc2c1c(=O)ncn2Cc1ccccc1
InChIInChI=1S/C14H12N4O/c15-13-12-11(6-7-16-13)18(9-17-14(12)19)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,15,16)
InChIKeyZPKNAAQEQJUYPV-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.42
Rot. Bonds2

About 5-amino-1-benzylpyrido[4,3-d]pyrimidin-4-one

5-amino-1-benzylpyrido[4,3-d]pyrimidin-4-one (PubChem CID 13258439) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 5-amino-1-benzylpyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-1-benzylpyrido[4,3-d]pyrimidin-4-one
PubChem CID13258439
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name5-amino-1-benzylpyrido[4,3-d]pyrimidin-4-one
SMILESNc1nccc2c1c(=O)ncn2Cc1ccccc1
InChIInChI=1S/C14H12N4O/c15-13-12-11(6-7-16-13)18(9-17-14(12)19)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,15,16)
InChIKeyZPKNAAQEQJUYPV-UHFFFAOYSA-N
XLogP1.42
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-benzyl-1-methylpyrazolo[5,4-d]pyrimidin-4-one
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1-benzylbenzimidazol-5-amine;trihydrochloride
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1-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-4-amine
CID 141220719
3,7-dibenzylpurin-2-one
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CID 83383120
3-benzyl-5-ethylimidazol-4-amine
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1-benzyl-8-methylimidazo[4,5-g]quinoline-4,9-dione
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3-amino-8-benzylimidazo[4,5-g]cinnoline-4-carboxamide
CID 13449223
3-amino-1-benzyl-5-[(2-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 110171164
3-benzylimidazo[4,5-b]pyridine
CID 11009167
3-amino-N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]pyrazine-2-carboxamide
CID 49086261

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-benzylpyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-amino-1-benzylpyrido[4,3-d]pyrimidin-4-one (CID 13258439) is 5-amino-1-benzylpyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-amino-1-benzylpyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-amino-1-benzylpyrido[4,3-d]pyrimidin-4-one is Nc1nccc2c1c(=O)ncn2Cc1ccccc1.
What is the InChIKey of 5-amino-1-benzylpyrido[4,3-d]pyrimidin-4-one?
The InChIKey is ZPKNAAQEQJUYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c15-13-12-11(6-7-16-13)18(9-17-14(12)19)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,15,16).
What are the key properties of 5-amino-1-benzylpyrido[4,3-d]pyrimidin-4-one?
5-amino-1-benzylpyrido[4,3-d]pyrimidin-4-one has a molecular weight of 252.28 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-benzylpyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 13258439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).