5-chloro-4,6-difluoro-2-methoxypyrimidine

C5H3ClF2N2O — CID 23235423

IUPAC5-chloro-4,6-difluoro-2-methoxypyrimidine
SMILESCOc1nc(F)c(Cl)c(F)n1
InChIInChI=1S/C5H3ClF2N2O/c1-11-5-9-3(7)2(6)4(8)10-5/h1H3
InChIKeyKRYZXDCAWHQCGV-UHFFFAOYSA-N
MW180.54 g/mol
LogP1.42
Rot. Bonds1

About 5-chloro-4,6-difluoro-2-methoxypyrimidine

5-chloro-4,6-difluoro-2-methoxypyrimidine (PubChem CID 23235423) has the molecular formula C5H3ClF2N2O and a molecular weight of 180.54 g/mol. Its IUPAC name is 5-chloro-4,6-difluoro-2-methoxypyrimidine.

Molecular Properties

Compound Name5-chloro-4,6-difluoro-2-methoxypyrimidine
PubChem CID23235423
Molecular FormulaC5H3ClF2N2O
Molecular Weight180.54 g/mol
Exact Mass179.99
IUPAC Name5-chloro-4,6-difluoro-2-methoxypyrimidine
SMILESCOc1nc(F)c(Cl)c(F)n1
InChIInChI=1S/C5H3ClF2N2O/c1-11-5-9-3(7)2(6)4(8)10-5/h1H3
InChIKeyKRYZXDCAWHQCGV-UHFFFAOYSA-N
XLogP1.42
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.54
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-chloro-4,6-difluoro-2-methoxypyrimidine 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 5-chloro-4,6-difluoro-2-methoxypyrimidine?
The IUPAC name of 5-chloro-4,6-difluoro-2-methoxypyrimidine (CID 23235423) is 5-chloro-4,6-difluoro-2-methoxypyrimidine.
What is the SMILES notation for 5-chloro-4,6-difluoro-2-methoxypyrimidine?
The canonical SMILES for 5-chloro-4,6-difluoro-2-methoxypyrimidine is COc1nc(F)c(Cl)c(F)n1.
What is the InChIKey of 5-chloro-4,6-difluoro-2-methoxypyrimidine?
The InChIKey is KRYZXDCAWHQCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClF2N2O/c1-11-5-9-3(7)2(6)4(8)10-5/h1H3.
What are the key properties of 5-chloro-4,6-difluoro-2-methoxypyrimidine?
5-chloro-4,6-difluoro-2-methoxypyrimidine has a molecular weight of 180.54 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4,6-difluoro-2-methoxypyrimidine is sourced from PubChem (CID 23235423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).