6-(benzimidazol-1-yl)-4-N-benzylpyrimidine-4,5-diamine

C18H16N6 — CID 19136313

IUPAC6-(benzimidazol-1-yl)-4-N-benzylpyrimidine-4,5-diamine
SMILESNc1c(NCc2ccccc2)ncnc1-n1cnc2ccccc21
InChIInChI=1S/C18H16N6/c19-16-17(20-10-13-6-2-1-3-7-13)21-11-22-18(16)24-12-23-14-8-4-5-9-15(14)24/h1-9,11-12H,10,19H2,(H,20,21,22)
InChIKeyRZAWYDSNAGBDDT-UHFFFAOYSA-N
MW316.37 g/mol
LogP3.01
Rot. Bonds4

About 6-(benzimidazol-1-yl)-4-N-benzylpyrimidine-4,5-diamine

6-(benzimidazol-1-yl)-4-N-benzylpyrimidine-4,5-diamine (PubChem CID 19136313) has the molecular formula C18H16N6 and a molecular weight of 316.37 g/mol. Its IUPAC name is 6-(benzimidazol-1-yl)-4-N-benzylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(benzimidazol-1-yl)-4-N-benzylpyrimidine-4,5-diamine
PubChem CID19136313
Molecular FormulaC18H16N6
Molecular Weight316.37 g/mol
Exact Mass316.14
IUPAC Name6-(benzimidazol-1-yl)-4-N-benzylpyrimidine-4,5-diamine
SMILESNc1c(NCc2ccccc2)ncnc1-n1cnc2ccccc21
InChIInChI=1S/C18H16N6/c19-16-17(20-10-13-6-2-1-3-7-13)21-11-22-18(16)24-12-23-14-8-4-5-9-15(14)24/h1-9,11-12H,10,19H2,(H,20,21,22)
InChIKeyRZAWYDSNAGBDDT-UHFFFAOYSA-N
XLogP3.01
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(benzimidazol-1-yl)-4-N-ethylpyrimidine-4,5-diamine
CID 19135352
4-(benzimidazol-1-yl)-6-(4-benzylpiperazin-1-yl)pyrimidin-5-amine
CID 19139393
6-(benzimidazol-1-yl)-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine
CID 19149292
6-(benzimidazol-1-yl)-4-N-(2,4-dichlorophenyl)pyrimidine-4,5-diamine
CID 19149882
6-(benzimidazol-1-yl)-4-N-quinolin-8-ylpyrimidine-4,5-diamine
CID 19144853
4-(benzimidazol-1-yl)-6-(4-phenylpiperazin-1-yl)pyrimidin-5-amine
CID 19138691
methyl 2-[[5-amino-6-(benzimidazol-1-yl)pyrimidin-4-yl]amino]benzoate
CID 19146316
4-N-benzyl-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19136176
dimethyl 5-[[5-amino-6-(benzimidazol-1-yl)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate
CID 22547762
6-(benzimidazol-1-yl)-N-benzyl-7H-purin-2-amine
CID 68921119
4-(benzimidazol-1-yl)-6-(4-methylphenoxy)pyrimidin-5-amine
CID 19152669
4-(benzimidazol-1-yl)-6-(4-ethylpiperazin-1-yl)pyrimidin-5-amine
CID 19138513

Frequently Asked Questions

What is the IUPAC name of 6-(benzimidazol-1-yl)-4-N-benzylpyrimidine-4,5-diamine?
The IUPAC name of 6-(benzimidazol-1-yl)-4-N-benzylpyrimidine-4,5-diamine (CID 19136313) is 6-(benzimidazol-1-yl)-4-N-benzylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-(benzimidazol-1-yl)-4-N-benzylpyrimidine-4,5-diamine?
The canonical SMILES for 6-(benzimidazol-1-yl)-4-N-benzylpyrimidine-4,5-diamine is Nc1c(NCc2ccccc2)ncnc1-n1cnc2ccccc21.
What is the InChIKey of 6-(benzimidazol-1-yl)-4-N-benzylpyrimidine-4,5-diamine?
The InChIKey is RZAWYDSNAGBDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6/c19-16-17(20-10-13-6-2-1-3-7-13)21-11-22-18(16)24-12-23-14-8-4-5-9-15(14)24/h1-9,11-12H,10,19H2,(H,20,21,22).
What are the key properties of 6-(benzimidazol-1-yl)-4-N-benzylpyrimidine-4,5-diamine?
6-(benzimidazol-1-yl)-4-N-benzylpyrimidine-4,5-diamine has a molecular weight of 316.37 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzimidazol-1-yl)-4-N-benzylpyrimidine-4,5-diamine is sourced from PubChem (CID 19136313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).