4,6-dichloro-5-(difluoromethyl)pyrimidine

C5H2Cl2F2N2 — CID 75176228

IUPAC4,6-dichloro-5-(difluoromethyl)pyrimidine
SMILESFC(F)c1c(Cl)ncnc1Cl
InChIInChI=1S/C5H2Cl2F2N2/c6-3-2(5(8)9)4(7)11-1-10-3/h1,5H
InChIKeyPKVJMACXCLXTKX-UHFFFAOYSA-N
MW198.99 g/mol
LogP2.72
Rot. Bonds1

About 4,6-dichloro-5-(difluoromethyl)pyrimidine

4,6-dichloro-5-(difluoromethyl)pyrimidine (PubChem CID 75176228) has the molecular formula C5H2Cl2F2N2 and a molecular weight of 198.99 g/mol. Its IUPAC name is 4,6-dichloro-5-(difluoromethyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-(difluoromethyl)pyrimidine
PubChem CID75176228
Molecular FormulaC5H2Cl2F2N2
Molecular Weight198.99 g/mol
Exact Mass197.96
IUPAC Name4,6-dichloro-5-(difluoromethyl)pyrimidine
SMILESFC(F)c1c(Cl)ncnc1Cl
InChIInChI=1S/C5H2Cl2F2N2/c6-3-2(5(8)9)4(7)11-1-10-3/h1,5H
InChIKeyPKVJMACXCLXTKX-UHFFFAOYSA-N
XLogP2.72
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.99
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,6-dichloro-5-(difluoromethyl)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-(difluoromethyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-(difluoromethyl)pyrimidine (CID 75176228) is 4,6-dichloro-5-(difluoromethyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-(difluoromethyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-(difluoromethyl)pyrimidine is FC(F)c1c(Cl)ncnc1Cl.
What is the InChIKey of 4,6-dichloro-5-(difluoromethyl)pyrimidine?
The InChIKey is PKVJMACXCLXTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Cl2F2N2/c6-3-2(5(8)9)4(7)11-1-10-3/h1,5H.
What are the key properties of 4,6-dichloro-5-(difluoromethyl)pyrimidine?
4,6-dichloro-5-(difluoromethyl)pyrimidine has a molecular weight of 198.99 g/mol, XLogP of 2.72, 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-(difluoromethyl)pyrimidine is sourced from PubChem (CID 75176228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).