4-N-(3H-benzimidazol-5-yl)-6-N-methylpyrimidine-4,6-diamine

C12H12N6 — CID 115265409

IUPAC4-N-(3H-benzimidazol-5-yl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2ccc3nc[nH]c3c2)ncn1
InChIInChI=1S/C12H12N6/c1-13-11-5-12(17-7-16-11)18-8-2-3-9-10(4-8)15-6-14-9/h2-7H,1H3,(H,14,15)(H2,13,16,17,18)
InChIKeyLHWMIZSCIJMXHX-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.14
Rot. Bonds3

About 4-N-(3H-benzimidazol-5-yl)-6-N-methylpyrimidine-4,6-diamine

4-N-(3H-benzimidazol-5-yl)-6-N-methylpyrimidine-4,6-diamine (PubChem CID 115265409) has the molecular formula C12H12N6 and a molecular weight of 240.27 g/mol. Its IUPAC name is 4-N-(3H-benzimidazol-5-yl)-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3H-benzimidazol-5-yl)-6-N-methylpyrimidine-4,6-diamine
PubChem CID115265409
Molecular FormulaC12H12N6
Molecular Weight240.27 g/mol
Exact Mass240.11
IUPAC Name4-N-(3H-benzimidazol-5-yl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2ccc3nc[nH]c3c2)ncn1
InChIInChI=1S/C12H12N6/c1-13-11-5-12(17-7-16-11)18-8-2-3-9-10(4-8)15-6-14-9/h2-7H,1H3,(H,14,15)(H2,13,16,17,18)
InChIKeyLHWMIZSCIJMXHX-UHFFFAOYSA-N
XLogP2.14
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(3H-benzimidazol-5-yl)-4-N-(5-cyclopropyl-1H-imidazol-2-yl)pyrimidine-4,6-diamine
CID 131801273
4-N-(3H-benzimidazol-5-ylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 115265541
4-N-(3-fluoro-4-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80762428
4-N-(4-fluoro-3-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80825736
6-N-methyl-4-N-(4-methylsulfonylphenyl)pyrimidine-4,6-diamine
CID 80762676
4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 53261245
4-N-(4-bromo-3-chlorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 107617790
2-N-(3H-benzimidazol-5-yl)-5-N-(2,4,6-trimethylphenyl)pyrimidine-2,5-diamine
CID 10269034
4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80760392
N-(3H-benzimidazol-5-yl)-4-(methylamino)benzamide
CID 115161081
4-N-(1,3-dihydro-2-benzofuran-5-yl)-6-N-methylpyrimidine-4,6-diamine
CID 114262820
4-N-(3,5-dichlorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80768521

Frequently Asked Questions

What is the IUPAC name of 4-N-(3H-benzimidazol-5-yl)-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3H-benzimidazol-5-yl)-6-N-methylpyrimidine-4,6-diamine (CID 115265409) is 4-N-(3H-benzimidazol-5-yl)-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3H-benzimidazol-5-yl)-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3H-benzimidazol-5-yl)-6-N-methylpyrimidine-4,6-diamine is CNc1cc(Nc2ccc3nc[nH]c3c2)ncn1.
What is the InChIKey of 4-N-(3H-benzimidazol-5-yl)-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is LHWMIZSCIJMXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6/c1-13-11-5-12(17-7-16-11)18-8-2-3-9-10(4-8)15-6-14-9/h2-7H,1H3,(H,14,15)(H2,13,16,17,18).
What are the key properties of 4-N-(3H-benzimidazol-5-yl)-6-N-methylpyrimidine-4,6-diamine?
4-N-(3H-benzimidazol-5-yl)-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 240.27 g/mol, XLogP of 2.14, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3H-benzimidazol-5-yl)-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 115265409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).