6-(benzimidazol-1-yl)-2,5-dimethylpyrimidin-4-amine

C13H13N5 — CID 80854160

IUPAC6-(benzimidazol-1-yl)-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(N)c(C)c(-n2cnc3ccccc32)n1
InChIInChI=1S/C13H13N5/c1-8-12(14)16-9(2)17-13(8)18-7-15-10-5-3-4-6-11(10)18/h3-7H,1-2H3,(H2,14,16,17)
InChIKeyGCFSFUGCDNTYRN-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.01
Rot. Bonds1

About 6-(benzimidazol-1-yl)-2,5-dimethylpyrimidin-4-amine

6-(benzimidazol-1-yl)-2,5-dimethylpyrimidin-4-amine (PubChem CID 80854160) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 6-(benzimidazol-1-yl)-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(benzimidazol-1-yl)-2,5-dimethylpyrimidin-4-amine
PubChem CID80854160
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name6-(benzimidazol-1-yl)-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(N)c(C)c(-n2cnc3ccccc32)n1
InChIInChI=1S/C13H13N5/c1-8-12(14)16-9(2)17-13(8)18-7-15-10-5-3-4-6-11(10)18/h3-7H,1-2H3,(H2,14,16,17)
InChIKeyGCFSFUGCDNTYRN-UHFFFAOYSA-N
XLogP2.01
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(benzimidazol-1-yl)-2,5-dimethylpyrimidin-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

6-(benzimidazol-1-yl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80992722
6-(benzimidazol-1-yl)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80992517
2-(benzimidazol-1-yl)-3-methylquinoxaline
CID 115579889
3-(benzimidazol-1-yl)-1-methylpyrazol-4-amine
CID 103078998
1-(2-methylpyrimidin-4-yl)benzimidazole
CID 112695167
5-(benzimidazol-1-yl)-1,3-dimethylpyrazol-4-amine
CID 43554355
3-(benzimidazol-1-yl)-4-methylaniline
CID 82512834
6-(benzimidazol-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82555245
4-(benzimidazol-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 1069561
6-(benzimidazol-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80853978
4-(benzimidazol-1-yl)-6-(4-methylphenoxy)pyrimidin-5-amine
CID 19152669
6-(benzimidazol-1-yl)-4-N-ethylpyrimidine-4,5-diamine
CID 19135352

Frequently Asked Questions

What is the IUPAC name of 6-(benzimidazol-1-yl)-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(benzimidazol-1-yl)-2,5-dimethylpyrimidin-4-amine (CID 80854160) is 6-(benzimidazol-1-yl)-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(benzimidazol-1-yl)-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(benzimidazol-1-yl)-2,5-dimethylpyrimidin-4-amine is Cc1nc(N)c(C)c(-n2cnc3ccccc32)n1.
What is the InChIKey of 6-(benzimidazol-1-yl)-2,5-dimethylpyrimidin-4-amine?
The InChIKey is GCFSFUGCDNTYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-8-12(14)16-9(2)17-13(8)18-7-15-10-5-3-4-6-11(10)18/h3-7H,1-2H3,(H2,14,16,17).
What are the key properties of 6-(benzimidazol-1-yl)-2,5-dimethylpyrimidin-4-amine?
6-(benzimidazol-1-yl)-2,5-dimethylpyrimidin-4-amine has a molecular weight of 239.28 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzimidazol-1-yl)-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80854160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).