2,4-dichloro-6-(1,1-difluoroethyl)-5-methylpyrimidine

C7H6Cl2F2N2 — CID 129278766

IUPAC2,4-dichloro-6-(1,1-difluoroethyl)-5-methylpyrimidine
SMILESCc1c(Cl)nc(Cl)nc1C(C)(F)F
InChIInChI=1S/C7H6Cl2F2N2/c1-3-4(7(2,10)11)12-6(9)13-5(3)8/h1-2H3
InChIKeyURONTBXLRBYHPF-UHFFFAOYSA-N
MW227.04 g/mol
LogP3.20
Rot. Bonds1

About 2,4-dichloro-6-(1,1-difluoroethyl)-5-methylpyrimidine

2,4-dichloro-6-(1,1-difluoroethyl)-5-methylpyrimidine (PubChem CID 129278766) has the molecular formula C7H6Cl2F2N2 and a molecular weight of 227.04 g/mol. Its IUPAC name is 2,4-dichloro-6-(1,1-difluoroethyl)-5-methylpyrimidine.

Molecular Properties

Compound Name2,4-dichloro-6-(1,1-difluoroethyl)-5-methylpyrimidine
PubChem CID129278766
Molecular FormulaC7H6Cl2F2N2
Molecular Weight227.04 g/mol
Exact Mass225.99
IUPAC Name2,4-dichloro-6-(1,1-difluoroethyl)-5-methylpyrimidine
SMILESCc1c(Cl)nc(Cl)nc1C(C)(F)F
InChIInChI=1S/C7H6Cl2F2N2/c1-3-4(7(2,10)11)12-6(9)13-5(3)8/h1-2H3
InChIKeyURONTBXLRBYHPF-UHFFFAOYSA-N
XLogP3.20
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.04
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,4-dichloro-6-(1,1-difluoroethyl)-5-methylpyrimidine 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 2,4-dichloro-6-(1,1-difluoroethyl)-5-methylpyrimidine?
The IUPAC name of 2,4-dichloro-6-(1,1-difluoroethyl)-5-methylpyrimidine (CID 129278766) is 2,4-dichloro-6-(1,1-difluoroethyl)-5-methylpyrimidine.
What is the SMILES notation for 2,4-dichloro-6-(1,1-difluoroethyl)-5-methylpyrimidine?
The canonical SMILES for 2,4-dichloro-6-(1,1-difluoroethyl)-5-methylpyrimidine is Cc1c(Cl)nc(Cl)nc1C(C)(F)F.
What is the InChIKey of 2,4-dichloro-6-(1,1-difluoroethyl)-5-methylpyrimidine?
The InChIKey is URONTBXLRBYHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2F2N2/c1-3-4(7(2,10)11)12-6(9)13-5(3)8/h1-2H3.
What are the key properties of 2,4-dichloro-6-(1,1-difluoroethyl)-5-methylpyrimidine?
2,4-dichloro-6-(1,1-difluoroethyl)-5-methylpyrimidine has a molecular weight of 227.04 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 2,4-dichloro-6-(1,1-difluoroethyl)-5-methylpyrimidine is sourced from PubChem (CID 129278766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).