4-N-(2-nitrophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine

C13H10N6O2 — CID 5328052

IUPAC4-N-(2-nitrophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
SMILESNc1cc2ncnc(Nc3ccccc3[N+](=O)[O-])c2cn1
InChIInChI=1S/C13H10N6O2/c14-12-5-10-8(6-15-12)13(17-7-16-10)18-9-3-1-2-4-11(9)19(20)21/h1-7H,(H2,14,15)(H,16,17,18)
InChIKeyFPEUMZRLYARFMA-UHFFFAOYSA-N
MW282.26 g/mol
LogP2.26
Rot. Bonds3

About 4-N-(2-nitrophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine

4-N-(2-nitrophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine (PubChem CID 5328052) has the molecular formula C13H10N6O2 and a molecular weight of 282.26 g/mol. Its IUPAC name is 4-N-(2-nitrophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine.

Molecular Properties

Compound Name4-N-(2-nitrophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
PubChem CID5328052
Molecular FormulaC13H10N6O2
Molecular Weight282.26 g/mol
Exact Mass282.09
IUPAC Name4-N-(2-nitrophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
SMILESNc1cc2ncnc(Nc3ccccc3[N+](=O)[O-])c2cn1
InChIInChI=1S/C13H10N6O2/c14-12-5-10-8(6-15-12)13(17-7-16-10)18-9-3-1-2-4-11(9)19(20)21/h1-7H,(H2,14,15)(H,16,17,18)
InChIKeyFPEUMZRLYARFMA-UHFFFAOYSA-N
XLogP2.26
TPSA119.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-N-(2-nitrophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-nitrophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine?
The IUPAC name of 4-N-(2-nitrophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine (CID 5328052) is 4-N-(2-nitrophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine.
What is the SMILES notation for 4-N-(2-nitrophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine?
The canonical SMILES for 4-N-(2-nitrophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine is Nc1cc2ncnc(Nc3ccccc3[N+](=O)[O-])c2cn1.
What is the InChIKey of 4-N-(2-nitrophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine?
The InChIKey is FPEUMZRLYARFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6O2/c14-12-5-10-8(6-15-12)13(17-7-16-10)18-9-3-1-2-4-11(9)19(20)21/h1-7H,(H2,14,15)(H,16,17,18).
What are the key properties of 4-N-(2-nitrophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine?
4-N-(2-nitrophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine has a molecular weight of 282.26 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-nitrophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine is sourced from PubChem (CID 5328052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).