4-cyclobutyl-6-imidazol-1-ylpyrimidine;hydrochloride

C11H13ClN4 — CID 165434530

IUPAC4-cyclobutyl-6-imidazol-1-ylpyrimidine;hydrochloride
SMILESCl.c1cn(-c2cc(C3CCC3)ncn2)cn1
InChIInChI=1S/C11H12N4.ClH/c1-2-9(3-1)10-6-11(14-7-13-10)15-5-4-12-8-15;/h4-9H,1-3H2;1H
InChIKeyUIQAUQKIPDBPLY-UHFFFAOYSA-N
MW236.71 g/mol
LogP2.35
Rot. Bonds2

About 4-cyclobutyl-6-imidazol-1-ylpyrimidine;hydrochloride

4-cyclobutyl-6-imidazol-1-ylpyrimidine;hydrochloride (PubChem CID 165434530) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 4-cyclobutyl-6-imidazol-1-ylpyrimidine;hydrochloride.

Molecular Properties

Compound Name4-cyclobutyl-6-imidazol-1-ylpyrimidine;hydrochloride
PubChem CID165434530
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name4-cyclobutyl-6-imidazol-1-ylpyrimidine;hydrochloride
SMILESCl.c1cn(-c2cc(C3CCC3)ncn2)cn1
InChIInChI=1S/C11H12N4.ClH/c1-2-9(3-1)10-6-11(14-7-13-10)15-5-4-12-8-15;/h4-9H,1-3H2;1H
InChIKeyUIQAUQKIPDBPLY-UHFFFAOYSA-N
XLogP2.35
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-cyclobutyl-6-imidazol-1-ylpyrimidine;hydrochloride 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 4-cyclobutyl-6-imidazol-1-ylpyrimidine;hydrochloride?
The IUPAC name of 4-cyclobutyl-6-imidazol-1-ylpyrimidine;hydrochloride (CID 165434530) is 4-cyclobutyl-6-imidazol-1-ylpyrimidine;hydrochloride.
What is the SMILES notation for 4-cyclobutyl-6-imidazol-1-ylpyrimidine;hydrochloride?
The canonical SMILES for 4-cyclobutyl-6-imidazol-1-ylpyrimidine;hydrochloride is Cl.c1cn(-c2cc(C3CCC3)ncn2)cn1.
What is the InChIKey of 4-cyclobutyl-6-imidazol-1-ylpyrimidine;hydrochloride?
The InChIKey is UIQAUQKIPDBPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4.ClH/c1-2-9(3-1)10-6-11(14-7-13-10)15-5-4-12-8-15;/h4-9H,1-3H2;1H.
What are the key properties of 4-cyclobutyl-6-imidazol-1-ylpyrimidine;hydrochloride?
4-cyclobutyl-6-imidazol-1-ylpyrimidine;hydrochloride has a molecular weight of 236.71 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-6-imidazol-1-ylpyrimidine;hydrochloride is sourced from PubChem (CID 165434530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).