2-(2-methylimidazol-1-yl)pyrimidine

C8H8N4 — CID 11974107

IUPAC2-(2-methylimidazol-1-yl)pyrimidine
SMILESCc1nccn1-c1ncccn1
InChIInChI=1S/C8H8N4/c1-7-9-5-6-12(7)8-10-3-2-4-11-8/h2-6H,1H3
InChIKeySCMQKHXYMDVJNF-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.97
Rot. Bonds1

About 2-(2-methylimidazol-1-yl)pyrimidine

2-(2-methylimidazol-1-yl)pyrimidine (PubChem CID 11974107) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is 2-(2-methylimidazol-1-yl)pyrimidine.

Molecular Properties

Compound Name2-(2-methylimidazol-1-yl)pyrimidine
PubChem CID11974107
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Name2-(2-methylimidazol-1-yl)pyrimidine
SMILESCc1nccn1-c1ncccn1
InChIInChI=1S/C8H8N4/c1-7-9-5-6-12(7)8-10-3-2-4-11-8/h2-6H,1H3
InChIKeySCMQKHXYMDVJNF-UHFFFAOYSA-N
XLogP0.97
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-methylimidazol-1-yl)pyrimidine 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 2-(2-methylimidazol-1-yl)pyrimidine?
The IUPAC name of 2-(2-methylimidazol-1-yl)pyrimidine (CID 11974107) is 2-(2-methylimidazol-1-yl)pyrimidine.
What is the SMILES notation for 2-(2-methylimidazol-1-yl)pyrimidine?
The canonical SMILES for 2-(2-methylimidazol-1-yl)pyrimidine is Cc1nccn1-c1ncccn1.
What is the InChIKey of 2-(2-methylimidazol-1-yl)pyrimidine?
The InChIKey is SCMQKHXYMDVJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c1-7-9-5-6-12(7)8-10-3-2-4-11-8/h2-6H,1H3.
What are the key properties of 2-(2-methylimidazol-1-yl)pyrimidine?
2-(2-methylimidazol-1-yl)pyrimidine has a molecular weight of 160.18 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazol-1-yl)pyrimidine is sourced from PubChem (CID 11974107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).