4-(5,6-dimethylbenzimidazol-1-yl)-6-hydrazinylpyrimidin-2-amine

C13H15N7 — CID 80901487

IUPAC4-(5,6-dimethylbenzimidazol-1-yl)-6-hydrazinylpyrimidin-2-amine
SMILESCc1cc2ncn(-c3cc(NN)nc(N)n3)c2cc1C
InChIInChI=1S/C13H15N7/c1-7-3-9-10(4-8(7)2)20(6-16-9)12-5-11(19-15)17-13(14)18-12/h3-6H,15H2,1-2H3,(H3,14,17,18,19)
InChIKeyZAKXVOLDLZFWAH-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.30
Rot. Bonds2

About 4-(5,6-dimethylbenzimidazol-1-yl)-6-hydrazinylpyrimidin-2-amine

4-(5,6-dimethylbenzimidazol-1-yl)-6-hydrazinylpyrimidin-2-amine (PubChem CID 80901487) has the molecular formula C13H15N7 and a molecular weight of 269.31 g/mol. Its IUPAC name is 4-(5,6-dimethylbenzimidazol-1-yl)-6-hydrazinylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(5,6-dimethylbenzimidazol-1-yl)-6-hydrazinylpyrimidin-2-amine
PubChem CID80901487
Molecular FormulaC13H15N7
Molecular Weight269.31 g/mol
Exact Mass269.14
IUPAC Name4-(5,6-dimethylbenzimidazol-1-yl)-6-hydrazinylpyrimidin-2-amine
SMILESCc1cc2ncn(-c3cc(NN)nc(N)n3)c2cc1C
InChIInChI=1S/C13H15N7/c1-7-3-9-10(4-8(7)2)20(6-16-9)12-5-11(19-15)17-13(14)18-12/h3-6H,15H2,1-2H3,(H3,14,17,18,19)
InChIKeyZAKXVOLDLZFWAH-UHFFFAOYSA-N
XLogP1.30
TPSA107.67 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-(5,6-dimethylbenzimidazol-1-yl)-6-hydrazinylpyrimidin-2-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

[6-(5,6-dimethylbenzimidazol-1-yl)-2-methylpyrimidin-4-yl]hydrazine
CID 80900481
4-(5,6-dimethylbenzimidazol-1-yl)-6-methylpyrimidin-2-amine
CID 112726059
6-(5,6-dimethylbenzimidazol-1-yl)-N-methylpyrimidin-4-amine
CID 80853780
6-(5,6-dimethylbenzimidazol-1-yl)pyrazin-2-amine
CID 80647713
[4-(5,6-dimethylbenzimidazol-1-yl)-5-methylpyrimidin-2-yl]hydrazine
CID 80902137
[4-(5,6-dimethylbenzimidazol-1-yl)-5-fluoropyrimidin-2-yl]hydrazine
CID 80900657
1-[3,5-bis(5,6-dimethylbenzimidazol-1-yl)-2,4,6-trimethylphenyl]-5,6-dimethylbenzimidazole
CID 122202423
1-(6-chloro-2-propylpyrimidin-4-yl)-5,6-dimethylbenzimidazole
CID 80939782
2-(5,6-dimethylbenzimidazol-1-yl)quinoline
CID 17411926
5-(5,6-dimethylbenzimidazol-1-yl)-1,3-dimethylpyrazol-4-amine
CID 43554356
4-hydrazinyl-6-imidazol-1-ylpyrimidin-2-amine
CID 80900802
1-[2-(5,6-dimethylbenzimidazol-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 62293983

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dimethylbenzimidazol-1-yl)-6-hydrazinylpyrimidin-2-amine?
The IUPAC name of 4-(5,6-dimethylbenzimidazol-1-yl)-6-hydrazinylpyrimidin-2-amine (CID 80901487) is 4-(5,6-dimethylbenzimidazol-1-yl)-6-hydrazinylpyrimidin-2-amine.
What is the SMILES notation for 4-(5,6-dimethylbenzimidazol-1-yl)-6-hydrazinylpyrimidin-2-amine?
The canonical SMILES for 4-(5,6-dimethylbenzimidazol-1-yl)-6-hydrazinylpyrimidin-2-amine is Cc1cc2ncn(-c3cc(NN)nc(N)n3)c2cc1C.
What is the InChIKey of 4-(5,6-dimethylbenzimidazol-1-yl)-6-hydrazinylpyrimidin-2-amine?
The InChIKey is ZAKXVOLDLZFWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7/c1-7-3-9-10(4-8(7)2)20(6-16-9)12-5-11(19-15)17-13(14)18-12/h3-6H,15H2,1-2H3,(H3,14,17,18,19).
What are the key properties of 4-(5,6-dimethylbenzimidazol-1-yl)-6-hydrazinylpyrimidin-2-amine?
4-(5,6-dimethylbenzimidazol-1-yl)-6-hydrazinylpyrimidin-2-amine has a molecular weight of 269.31 g/mol, XLogP of 1.30, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dimethylbenzimidazol-1-yl)-6-hydrazinylpyrimidin-2-amine is sourced from PubChem (CID 80901487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).