4-(benzimidazol-1-yl)-6-methoxypyrimidin-2-amine

C12H11N5O — CID 114053321

IUPAC4-(benzimidazol-1-yl)-6-methoxypyrimidin-2-amine
SMILESCOc1cc(-n2cnc3ccccc32)nc(N)n1
InChIInChI=1S/C12H11N5O/c1-18-11-6-10(15-12(13)16-11)17-7-14-8-4-2-3-5-9(8)17/h2-7H,1H3,(H2,13,15,16)
InChIKeyPSUMSYCQHPQLEW-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.41
Rot. Bonds2

About 4-(benzimidazol-1-yl)-6-methoxypyrimidin-2-amine

4-(benzimidazol-1-yl)-6-methoxypyrimidin-2-amine (PubChem CID 114053321) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-6-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-6-methoxypyrimidin-2-amine
PubChem CID114053321
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name4-(benzimidazol-1-yl)-6-methoxypyrimidin-2-amine
SMILESCOc1cc(-n2cnc3ccccc32)nc(N)n1
InChIInChI=1S/C12H11N5O/c1-18-11-6-10(15-12(13)16-11)17-7-14-8-4-2-3-5-9(8)17/h2-7H,1H3,(H2,13,15,16)
InChIKeyPSUMSYCQHPQLEW-UHFFFAOYSA-N
XLogP1.41
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(benzimidazol-1-yl)-6-methoxypyrimidin-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-(benzimidazol-1-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80966582
4-(benzimidazol-1-yl)-2-methoxyaniline
CID 63676519
1-(2,6-dichloropyrimidin-4-yl)benzimidazole
CID 10539590
6-(benzimidazol-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80853978
1-(benzimidazol-1-yl)-7-methoxyisoquinoline
CID 106543716
1-(2-methylpyrimidin-4-yl)benzimidazole
CID 112695167
1-(2-tert-butyl-6-chloropyrimidin-4-yl)benzimidazole
CID 80951246
2-(benzimidazol-1-yl)-3-methylquinoxaline
CID 115579889
[4-(benzimidazol-1-yl)-3-methoxyphenyl]methanamine
CID 141496623
[2-(benzimidazol-1-yl)-4-methoxyphenyl]methanamine
CID 81299090
2-(benzimidazol-1-yl)quinoline-4-carbonitrile
CID 63884112
3-(benzimidazol-1-yl)-4-methylaniline
CID 82512834

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-6-methoxypyrimidin-2-amine?
The IUPAC name of 4-(benzimidazol-1-yl)-6-methoxypyrimidin-2-amine (CID 114053321) is 4-(benzimidazol-1-yl)-6-methoxypyrimidin-2-amine.
What is the SMILES notation for 4-(benzimidazol-1-yl)-6-methoxypyrimidin-2-amine?
The canonical SMILES for 4-(benzimidazol-1-yl)-6-methoxypyrimidin-2-amine is COc1cc(-n2cnc3ccccc32)nc(N)n1.
What is the InChIKey of 4-(benzimidazol-1-yl)-6-methoxypyrimidin-2-amine?
The InChIKey is PSUMSYCQHPQLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-18-11-6-10(15-12(13)16-11)17-7-14-8-4-2-3-5-9(8)17/h2-7H,1H3,(H2,13,15,16).
What are the key properties of 4-(benzimidazol-1-yl)-6-methoxypyrimidin-2-amine?
4-(benzimidazol-1-yl)-6-methoxypyrimidin-2-amine has a molecular weight of 241.25 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-6-methoxypyrimidin-2-amine is sourced from PubChem (CID 114053321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).