2-chloro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine

C11H13ClN4 — CID 42632600

IUPAC2-chloro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine
SMILESCc1ncc(-c2ccnc(Cl)n2)n1C(C)C
InChIInChI=1S/C11H13ClN4/c1-7(2)16-8(3)14-6-10(16)9-4-5-13-11(12)15-9/h4-7H,1-3H3
InChIKeyLDKWFMXDDXUIKO-UHFFFAOYSA-N
MW236.71 g/mol
LogP2.88
Rot. Bonds2

About 2-chloro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine

2-chloro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine (PubChem CID 42632600) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 2-chloro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine
PubChem CID42632600
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name2-chloro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine
SMILESCc1ncc(-c2ccnc(Cl)n2)n1C(C)C
InChIInChI=1S/C11H13ClN4/c1-7(2)16-8(3)14-6-10(16)9-4-5-13-11(12)15-9/h4-7H,1-3H3
InChIKeyLDKWFMXDDXUIKO-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-chloro-4-(2-methyl-3-propan-2-ylimidazol-4-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-chloro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine?
The IUPAC name of 2-chloro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine (CID 42632600) is 2-chloro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine?
The canonical SMILES for 2-chloro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine is Cc1ncc(-c2ccnc(Cl)n2)n1C(C)C.
What is the InChIKey of 2-chloro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine?
The InChIKey is LDKWFMXDDXUIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c1-7(2)16-8(3)14-6-10(16)9-4-5-13-11(12)15-9/h4-7H,1-3H3.
What are the key properties of 2-chloro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine?
2-chloro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine has a molecular weight of 236.71 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine is sourced from PubChem (CID 42632600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).