N-(3-bromophenyl)-7-hydrazinylpyrido[4,3-d]pyrimidin-4-amine

C13H11BrN6 — CID 5328318

IUPACN-(3-bromophenyl)-7-hydrazinylpyrido[4,3-d]pyrimidin-4-amine
SMILESNNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1
InChIInChI=1S/C13H11BrN6/c14-8-2-1-3-9(4-8)19-13-10-6-16-12(20-15)5-11(10)17-7-18-13/h1-7H,15H2,(H,16,20)(H,17,18,19)
InChIKeyXKJIVVHNSBAGCH-UHFFFAOYSA-N
MW331.18 g/mol
LogP2.82
Rot. Bonds3

About N-(3-bromophenyl)-7-hydrazinylpyrido[4,3-d]pyrimidin-4-amine

N-(3-bromophenyl)-7-hydrazinylpyrido[4,3-d]pyrimidin-4-amine (PubChem CID 5328318) has the molecular formula C13H11BrN6 and a molecular weight of 331.18 g/mol. Its IUPAC name is N-(3-bromophenyl)-7-hydrazinylpyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-7-hydrazinylpyrido[4,3-d]pyrimidin-4-amine
PubChem CID5328318
Molecular FormulaC13H11BrN6
Molecular Weight331.18 g/mol
Exact Mass330.02
IUPAC NameN-(3-bromophenyl)-7-hydrazinylpyrido[4,3-d]pyrimidin-4-amine
SMILESNNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1
InChIInChI=1S/C13H11BrN6/c14-8-2-1-3-9(4-8)19-13-10-6-16-12(20-15)5-11(10)17-7-18-13/h1-7H,15H2,(H,16,20)(H,17,18,19)
InChIKeyXKJIVVHNSBAGCH-UHFFFAOYSA-N
XLogP2.82
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.18
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(3-bromophenyl)-7-hydrazinylpyrido[4,3-d]pyrimidin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-(3-bromophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80928582
N-(3-bromophenyl)-6,7-dimethylquinazolin-4-amine;dihydrate
CID 169427940
N-[4-(3-bromoanilino)-7-methylquinazolin-6-yl]acetamide
CID 143862897
4-(3-bromoanilino)-6-methoxyquinazolin-7-ol
CID 135533250
4-(3-bromoanilino)-7-(111C)methoxyquinazolin-6-ol
CID 11142491
4-[[4-(3-bromoanilino)pyrido[3,4-d]pyrimidin-6-yl]amino]butane-1,2-diol
CID 18358918
N-[4-(3-bromoanilino)quinazolin-7-yl]-2-methylprop-2-enamide
CID 18176145
(2R,3R,4R,5S)-6-[[4-(3-bromoanilino)pyrido[4,3-d]pyrimidin-7-yl]-methylamino]hexane-1,2,3,4,5-pentol
CID 10648874
6-bromo-N-(3-chlorophenyl)quinazolin-4-amine
CID 720635
4-N-(3-bromophenyl)-6-N-(3-imidazol-1-ylpropyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328368
4-N-(3-bromophenyl)pyrimidine-4,6-diamine
CID 80760494
4-N-(3-bromophenyl)-6-N-butan-2-ylquinazoline-4,6-diamine
CID 152645355

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-7-hydrazinylpyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3-bromophenyl)-7-hydrazinylpyrido[4,3-d]pyrimidin-4-amine (CID 5328318) is N-(3-bromophenyl)-7-hydrazinylpyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-bromophenyl)-7-hydrazinylpyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-bromophenyl)-7-hydrazinylpyrido[4,3-d]pyrimidin-4-amine is NNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1.
What is the InChIKey of N-(3-bromophenyl)-7-hydrazinylpyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is XKJIVVHNSBAGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN6/c14-8-2-1-3-9(4-8)19-13-10-6-16-12(20-15)5-11(10)17-7-18-13/h1-7H,15H2,(H,16,20)(H,17,18,19).
What are the key properties of N-(3-bromophenyl)-7-hydrazinylpyrido[4,3-d]pyrimidin-4-amine?
N-(3-bromophenyl)-7-hydrazinylpyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 331.18 g/mol, XLogP of 2.82, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-7-hydrazinylpyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 5328318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).