4-chloro-6-(1-methylimidazol-2-yl)-2-(trifluoromethyl)pyrimidine

C9H6ClF3N4 — CID 106768917

IUPAC4-chloro-6-(1-methylimidazol-2-yl)-2-(trifluoromethyl)pyrimidine
SMILESCn1ccnc1-c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C9H6ClF3N4/c1-17-3-2-14-7(17)5-4-6(10)16-8(15-5)9(11,12)13/h2-4H,1H3
InChIKeyRAGIFXLWWUUKJQ-UHFFFAOYSA-N
MW262.62 g/mol
LogP2.55
Rot. Bonds1

About 4-chloro-6-(1-methylimidazol-2-yl)-2-(trifluoromethyl)pyrimidine

4-chloro-6-(1-methylimidazol-2-yl)-2-(trifluoromethyl)pyrimidine (PubChem CID 106768917) has the molecular formula C9H6ClF3N4 and a molecular weight of 262.62 g/mol. Its IUPAC name is 4-chloro-6-(1-methylimidazol-2-yl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(1-methylimidazol-2-yl)-2-(trifluoromethyl)pyrimidine
PubChem CID106768917
Molecular FormulaC9H6ClF3N4
Molecular Weight262.62 g/mol
Exact Mass262.02
IUPAC Name4-chloro-6-(1-methylimidazol-2-yl)-2-(trifluoromethyl)pyrimidine
SMILESCn1ccnc1-c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C9H6ClF3N4/c1-17-3-2-14-7(17)5-4-6(10)16-8(15-5)9(11,12)13/h2-4H,1H3
InChIKeyRAGIFXLWWUUKJQ-UHFFFAOYSA-N
XLogP2.55
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.62
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-6-(1-methylimidazol-2-yl)-2-(trifluoromethyl)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 4-chloro-6-(1-methylimidazol-2-yl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-(1-methylimidazol-2-yl)-2-(trifluoromethyl)pyrimidine (CID 106768917) is 4-chloro-6-(1-methylimidazol-2-yl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(1-methylimidazol-2-yl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(1-methylimidazol-2-yl)-2-(trifluoromethyl)pyrimidine is Cn1ccnc1-c1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 4-chloro-6-(1-methylimidazol-2-yl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is RAGIFXLWWUUKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF3N4/c1-17-3-2-14-7(17)5-4-6(10)16-8(15-5)9(11,12)13/h2-4H,1H3.
What are the key properties of 4-chloro-6-(1-methylimidazol-2-yl)-2-(trifluoromethyl)pyrimidine?
4-chloro-6-(1-methylimidazol-2-yl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 262.62 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(1-methylimidazol-2-yl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 106768917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).