6-(3-aminophenyl)-3H-pyrido[3,2-d]pyrimidin-4-one

C13H10N4O — CID 155340602

IUPAC6-(3-aminophenyl)-3H-pyrido[3,2-d]pyrimidin-4-one
SMILESNc1cccc(-c2ccc3nc[nH]c(=O)c3n2)c1
InChIInChI=1S/C13H10N4O/c14-9-3-1-2-8(6-9)10-4-5-11-12(17-10)13(18)16-7-15-11/h1-7H,14H2,(H,15,16,18)
InChIKeyFRNJMDNUDLHFID-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.57
Rot. Bonds1

About 6-(3-aminophenyl)-3H-pyrido[3,2-d]pyrimidin-4-one

6-(3-aminophenyl)-3H-pyrido[3,2-d]pyrimidin-4-one (PubChem CID 155340602) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is 6-(3-aminophenyl)-3H-pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(3-aminophenyl)-3H-pyrido[3,2-d]pyrimidin-4-one
PubChem CID155340602
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name6-(3-aminophenyl)-3H-pyrido[3,2-d]pyrimidin-4-one
SMILESNc1cccc(-c2ccc3nc[nH]c(=O)c3n2)c1
InChIInChI=1S/C13H10N4O/c14-9-3-1-2-8(6-9)10-4-5-11-12(17-10)13(18)16-7-15-11/h1-7H,14H2,(H,15,16,18)
InChIKeyFRNJMDNUDLHFID-UHFFFAOYSA-N
XLogP1.57
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-(3-methylsulfonylphenyl)-3H-pyrido[3,2-d]pyrimidin-4-one
CID 166400304
6-bromo-3H-pyrido[3,2-d]pyrimidin-4-one
CID 137032185
6-fluoro-3H-pyrido[3,2-d]pyrimidin-4-one
CID 135427088
3-(6-chloroquinolin-2-yl)aniline
CID 44569223
6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one
CID 136929412
4-(3-aminophenyl)pyrimidin-2-amine
CID 55250731
5-(3-aminophenyl)-1H-pyrazin-2-one
CID 67016956
6-(3-methylphenyl)-3H-pteridin-4-one
CID 155956896
3-[6-(3-aminophenyl)-3-pyridinyl]aniline
CID 141227137
6-phenyl-3H-quinazolin-4-one
CID 135741302
4-[2-(3-aminophenyl)imidazol-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136979919
3-[6-(3-aminophenyl)-4-[4-(3,5-diphenylphenyl)phenyl]-2-pyridinyl]aniline
CID 143332124

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminophenyl)-3H-pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-(3-aminophenyl)-3H-pyrido[3,2-d]pyrimidin-4-one (CID 155340602) is 6-(3-aminophenyl)-3H-pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-(3-aminophenyl)-3H-pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-(3-aminophenyl)-3H-pyrido[3,2-d]pyrimidin-4-one is Nc1cccc(-c2ccc3nc[nH]c(=O)c3n2)c1.
What is the InChIKey of 6-(3-aminophenyl)-3H-pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is FRNJMDNUDLHFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c14-9-3-1-2-8(6-9)10-4-5-11-12(17-10)13(18)16-7-15-11/h1-7H,14H2,(H,15,16,18).
What are the key properties of 6-(3-aminophenyl)-3H-pyrido[3,2-d]pyrimidin-4-one?
6-(3-aminophenyl)-3H-pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 238.25 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminophenyl)-3H-pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 155340602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).