5-chloro-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-6-methylpyridin-2-amine

C13H17ClN4 — CID 134703730

IUPAC5-chloro-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-6-methylpyridin-2-amine
SMILESCc1nc(NCCn2cnc(C)c2C)ccc1Cl
InChIInChI=1S/C13H17ClN4/c1-9-11(3)18(8-16-9)7-6-15-13-5-4-12(14)10(2)17-13/h4-5,8H,6-7H2,1-3H3,(H,15,17)
InChIKeyVVJDCGYNQXITMW-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.97
Rot. Bonds4

About 5-chloro-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-6-methylpyridin-2-amine

5-chloro-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-6-methylpyridin-2-amine (PubChem CID 134703730) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is 5-chloro-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-6-methylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-6-methylpyridin-2-amine
PubChem CID134703730
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name5-chloro-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-6-methylpyridin-2-amine
SMILESCc1nc(NCCn2cnc(C)c2C)ccc1Cl
InChIInChI=1S/C13H17ClN4/c1-9-11(3)18(8-16-9)7-6-15-13-5-4-12(14)10(2)17-13/h4-5,8H,6-7H2,1-3H3,(H,15,17)
InChIKeyVVJDCGYNQXITMW-UHFFFAOYSA-N
XLogP2.97
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-6-methylpyridin-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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-6-methylpyridin-2-amine?
The IUPAC name of 5-chloro-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-6-methylpyridin-2-amine (CID 134703730) is 5-chloro-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-6-methylpyridin-2-amine.
What is the SMILES notation for 5-chloro-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-6-methylpyridin-2-amine?
The canonical SMILES for 5-chloro-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-6-methylpyridin-2-amine is Cc1nc(NCCn2cnc(C)c2C)ccc1Cl.
What is the InChIKey of 5-chloro-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-6-methylpyridin-2-amine?
The InChIKey is VVJDCGYNQXITMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-9-11(3)18(8-16-9)7-6-15-13-5-4-12(14)10(2)17-13/h4-5,8H,6-7H2,1-3H3,(H,15,17).
What are the key properties of 5-chloro-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-6-methylpyridin-2-amine?
5-chloro-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-6-methylpyridin-2-amine has a molecular weight of 264.76 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-6-methylpyridin-2-amine is sourced from PubChem (CID 134703730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).