4-(1-benzyl-4-methylimidazol-2-yl)-6-chloropyrimidin-2-amine

C15H14ClN5 — CID 166101559

IUPAC4-(1-benzyl-4-methylimidazol-2-yl)-6-chloropyrimidin-2-amine
SMILESCc1cn(Cc2ccccc2)c(-c2cc(Cl)nc(N)n2)n1
InChIInChI=1S/C15H14ClN5/c1-10-8-21(9-11-5-3-2-4-6-11)14(18-10)12-7-13(16)20-15(17)19-12/h2-8H,9H2,1H3,(H2,17,19,20)
InChIKeyAGTPBNLFOGBEMM-UHFFFAOYSA-N
MW299.77 g/mol
LogP2.93
Rot. Bonds3

About 4-(1-benzyl-4-methylimidazol-2-yl)-6-chloropyrimidin-2-amine

4-(1-benzyl-4-methylimidazol-2-yl)-6-chloropyrimidin-2-amine (PubChem CID 166101559) has the molecular formula C15H14ClN5 and a molecular weight of 299.77 g/mol. Its IUPAC name is 4-(1-benzyl-4-methylimidazol-2-yl)-6-chloropyrimidin-2-amine.

Molecular Properties

Compound Name4-(1-benzyl-4-methylimidazol-2-yl)-6-chloropyrimidin-2-amine
PubChem CID166101559
Molecular FormulaC15H14ClN5
Molecular Weight299.77 g/mol
Exact Mass299.09
IUPAC Name4-(1-benzyl-4-methylimidazol-2-yl)-6-chloropyrimidin-2-amine
SMILESCc1cn(Cc2ccccc2)c(-c2cc(Cl)nc(N)n2)n1
InChIInChI=1S/C15H14ClN5/c1-10-8-21(9-11-5-3-2-4-6-11)14(18-10)12-7-13(16)20-15(17)19-12/h2-8H,9H2,1H3,(H2,17,19,20)
InChIKeyAGTPBNLFOGBEMM-UHFFFAOYSA-N
XLogP2.93
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(1-benzyl-4-methylimidazol-2-yl)-6-chloropyrimidin-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 4-(1-benzyl-4-methylimidazol-2-yl)-6-chloropyrimidin-2-amine?
The IUPAC name of 4-(1-benzyl-4-methylimidazol-2-yl)-6-chloropyrimidin-2-amine (CID 166101559) is 4-(1-benzyl-4-methylimidazol-2-yl)-6-chloropyrimidin-2-amine.
What is the SMILES notation for 4-(1-benzyl-4-methylimidazol-2-yl)-6-chloropyrimidin-2-amine?
The canonical SMILES for 4-(1-benzyl-4-methylimidazol-2-yl)-6-chloropyrimidin-2-amine is Cc1cn(Cc2ccccc2)c(-c2cc(Cl)nc(N)n2)n1.
What is the InChIKey of 4-(1-benzyl-4-methylimidazol-2-yl)-6-chloropyrimidin-2-amine?
The InChIKey is AGTPBNLFOGBEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5/c1-10-8-21(9-11-5-3-2-4-6-11)14(18-10)12-7-13(16)20-15(17)19-12/h2-8H,9H2,1H3,(H2,17,19,20).
What are the key properties of 4-(1-benzyl-4-methylimidazol-2-yl)-6-chloropyrimidin-2-amine?
4-(1-benzyl-4-methylimidazol-2-yl)-6-chloropyrimidin-2-amine has a molecular weight of 299.77 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzyl-4-methylimidazol-2-yl)-6-chloropyrimidin-2-amine is sourced from PubChem (CID 166101559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).