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

C13H10N6O2 — CID 5328053

IUPAC4-N-(3-nitrophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
SMILESNc1cc2ncnc(Nc3cccc([N+](=O)[O-])c3)c2cn1
InChIInChI=1S/C13H10N6O2/c14-12-5-11-10(6-15-12)13(17-7-16-11)18-8-2-1-3-9(4-8)19(20)21/h1-7H,(H2,14,15)(H,16,17,18)
InChIKeyBMZXYZGEVIZRKF-UHFFFAOYSA-N
MW282.26 g/mol
LogP2.26
Rot. Bonds3

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

4-N-(3-nitrophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine (PubChem CID 5328053) has the molecular formula C13H10N6O2 and a molecular weight of 282.26 g/mol. Its IUPAC name is 4-N-(3-nitrophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine.

Molecular Properties

Compound Name4-N-(3-nitrophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
PubChem CID5328053
Molecular FormulaC13H10N6O2
Molecular Weight282.26 g/mol
Exact Mass282.09
IUPAC Name4-N-(3-nitrophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
SMILESNc1cc2ncnc(Nc3cccc([N+](=O)[O-])c3)c2cn1
InChIInChI=1S/C13H10N6O2/c14-12-5-11-10(6-15-12)13(17-7-16-11)18-8-2-1-3-9(4-8)19(20)21/h1-7H,(H2,14,15)(H,16,17,18)
InChIKeyBMZXYZGEVIZRKF-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'}

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Related Compounds

4-N-(3-bromophenyl)-7-N-methylpyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328252
4-N-(3-bromophenyl)-7-N,7-N-dimethylpyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328253
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
Sri-9439
CID 446752
6-Amino-4-[(3-methylphenyl)amino]pyrido[3,4-d]pyrimidine
CID 5328375
6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328376
2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10267580
N-benzyl-2-pyridin-4-ylquinazolin-4-amine
CID 921562
N-(3-bromophenyl)pyrido[4,3-d]pyrimidin-4-amine
CID 5328249
6-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328377
7-Amino-4-[(3-bromophenyl)amino]pyrido[4,3-d]pyrimidine
CID 382059
4-Anilino quinazoline deriv. 18
CID 5328017

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-nitrophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine?
The IUPAC name of 4-N-(3-nitrophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine (CID 5328053) is 4-N-(3-nitrophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine.
What is the SMILES notation for 4-N-(3-nitrophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine?
The canonical SMILES for 4-N-(3-nitrophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine is Nc1cc2ncnc(Nc3cccc([N+](=O)[O-])c3)c2cn1.
What is the InChIKey of 4-N-(3-nitrophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine?
The InChIKey is BMZXYZGEVIZRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6O2/c14-12-5-11-10(6-15-12)13(17-7-16-11)18-8-2-1-3-9(4-8)19(20)21/h1-7H,(H2,14,15)(H,16,17,18).
What are the key properties of 4-N-(3-nitrophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine?
4-N-(3-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-(3-nitrophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine is sourced from PubChem (CID 5328053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).