4,6-dichloro-5-methyl-2-(2,2,2-trifluoroethyl)pyrimidine

C7H5Cl2F3N2 — CID 63612145

IUPAC4,6-dichloro-5-methyl-2-(2,2,2-trifluoroethyl)pyrimidine
SMILESCc1c(Cl)nc(CC(F)(F)F)nc1Cl
InChIInChI=1S/C7H5Cl2F3N2/c1-3-5(8)13-4(14-6(3)9)2-7(10,11)12/h2H2,1H3
InChIKeyCADFXFDCFCWFIW-UHFFFAOYSA-N
MW245.03 g/mol
LogP3.20
Rot. Bonds1

About 4,6-dichloro-5-methyl-2-(2,2,2-trifluoroethyl)pyrimidine

4,6-dichloro-5-methyl-2-(2,2,2-trifluoroethyl)pyrimidine (PubChem CID 63612145) has the molecular formula C7H5Cl2F3N2 and a molecular weight of 245.03 g/mol. Its IUPAC name is 4,6-dichloro-5-methyl-2-(2,2,2-trifluoroethyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-methyl-2-(2,2,2-trifluoroethyl)pyrimidine
PubChem CID63612145
Molecular FormulaC7H5Cl2F3N2
Molecular Weight245.03 g/mol
Exact Mass243.98
IUPAC Name4,6-dichloro-5-methyl-2-(2,2,2-trifluoroethyl)pyrimidine
SMILESCc1c(Cl)nc(CC(F)(F)F)nc1Cl
InChIInChI=1S/C7H5Cl2F3N2/c1-3-5(8)13-4(14-6(3)9)2-7(10,11)12/h2H2,1H3
InChIKeyCADFXFDCFCWFIW-UHFFFAOYSA-N
XLogP3.20
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.03
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,6-dichloro-5-methyl-2-(2,2,2-trifluoroethyl)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 4,6-dichloro-5-methyl-2-(2,2,2-trifluoroethyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-methyl-2-(2,2,2-trifluoroethyl)pyrimidine (CID 63612145) is 4,6-dichloro-5-methyl-2-(2,2,2-trifluoroethyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-methyl-2-(2,2,2-trifluoroethyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-methyl-2-(2,2,2-trifluoroethyl)pyrimidine is Cc1c(Cl)nc(CC(F)(F)F)nc1Cl.
What is the InChIKey of 4,6-dichloro-5-methyl-2-(2,2,2-trifluoroethyl)pyrimidine?
The InChIKey is CADFXFDCFCWFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2F3N2/c1-3-5(8)13-4(14-6(3)9)2-7(10,11)12/h2H2,1H3.
What are the key properties of 4,6-dichloro-5-methyl-2-(2,2,2-trifluoroethyl)pyrimidine?
4,6-dichloro-5-methyl-2-(2,2,2-trifluoroethyl)pyrimidine has a molecular weight of 245.03 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-methyl-2-(2,2,2-trifluoroethyl)pyrimidine is sourced from PubChem (CID 63612145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).