[4-(5,6-dimethylbenzimidazol-1-yl)-5-methylpyrimidin-2-yl]hydrazine

C14H16N6 — CID 80902137

IUPAC[4-(5,6-dimethylbenzimidazol-1-yl)-5-methylpyrimidin-2-yl]hydrazine
SMILESCc1cc2ncn(-c3nc(NN)ncc3C)c2cc1C
InChIInChI=1S/C14H16N6/c1-8-4-11-12(5-9(8)2)20(7-17-11)13-10(3)6-16-14(18-13)19-15/h4-7H,15H2,1-3H3,(H,16,18,19)
InChIKeyWKONBNXLXOVYPR-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.03
Rot. Bonds2

About [4-(5,6-dimethylbenzimidazol-1-yl)-5-methylpyrimidin-2-yl]hydrazine

[4-(5,6-dimethylbenzimidazol-1-yl)-5-methylpyrimidin-2-yl]hydrazine (PubChem CID 80902137) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is [4-(5,6-dimethylbenzimidazol-1-yl)-5-methylpyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(5,6-dimethylbenzimidazol-1-yl)-5-methylpyrimidin-2-yl]hydrazine
PubChem CID80902137
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name[4-(5,6-dimethylbenzimidazol-1-yl)-5-methylpyrimidin-2-yl]hydrazine
SMILESCc1cc2ncn(-c3nc(NN)ncc3C)c2cc1C
InChIInChI=1S/C14H16N6/c1-8-4-11-12(5-9(8)2)20(7-17-11)13-10(3)6-16-14(18-13)19-15/h4-7H,15H2,1-3H3,(H,16,18,19)
InChIKeyWKONBNXLXOVYPR-UHFFFAOYSA-N
XLogP2.03
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(5,6-dimethylbenzimidazol-1-yl)-5-methylpyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(5,6-dimethylbenzimidazol-1-yl)-5-methylpyrimidin-2-yl]hydrazine (CID 80902137) is [4-(5,6-dimethylbenzimidazol-1-yl)-5-methylpyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(5,6-dimethylbenzimidazol-1-yl)-5-methylpyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(5,6-dimethylbenzimidazol-1-yl)-5-methylpyrimidin-2-yl]hydrazine is Cc1cc2ncn(-c3nc(NN)ncc3C)c2cc1C.
What is the InChIKey of [4-(5,6-dimethylbenzimidazol-1-yl)-5-methylpyrimidin-2-yl]hydrazine?
The InChIKey is WKONBNXLXOVYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-8-4-11-12(5-9(8)2)20(7-17-11)13-10(3)6-16-14(18-13)19-15/h4-7H,15H2,1-3H3,(H,16,18,19).
What are the key properties of [4-(5,6-dimethylbenzimidazol-1-yl)-5-methylpyrimidin-2-yl]hydrazine?
[4-(5,6-dimethylbenzimidazol-1-yl)-5-methylpyrimidin-2-yl]hydrazine has a molecular weight of 268.32 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5,6-dimethylbenzimidazol-1-yl)-5-methylpyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80902137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).