6-chloro-3-(difluoromethyl)-5-methoxypyrimidin-4-one

C6H5ClF2N2O2 — CID 114585262

IUPAC6-chloro-3-(difluoromethyl)-5-methoxypyrimidin-4-one
SMILESCOc1c(Cl)ncn(C(F)F)c1=O
InChIInChI=1S/C6H5ClF2N2O2/c1-13-3-4(7)10-2-11(5(3)12)6(8)9/h2,6H,1H3
InChIKeyFQBWGXKHPQYDBI-UHFFFAOYSA-N
MW210.57 g/mol
LogP1.30
Rot. Bonds2

About 6-chloro-3-(difluoromethyl)-5-methoxypyrimidin-4-one

6-chloro-3-(difluoromethyl)-5-methoxypyrimidin-4-one (PubChem CID 114585262) has the molecular formula C6H5ClF2N2O2 and a molecular weight of 210.57 g/mol. Its IUPAC name is 6-chloro-3-(difluoromethyl)-5-methoxypyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(difluoromethyl)-5-methoxypyrimidin-4-one
PubChem CID114585262
Molecular FormulaC6H5ClF2N2O2
Molecular Weight210.57 g/mol
Exact Mass210.00
IUPAC Name6-chloro-3-(difluoromethyl)-5-methoxypyrimidin-4-one
SMILESCOc1c(Cl)ncn(C(F)F)c1=O
InChIInChI=1S/C6H5ClF2N2O2/c1-13-3-4(7)10-2-11(5(3)12)6(8)9/h2,6H,1H3
InChIKeyFQBWGXKHPQYDBI-UHFFFAOYSA-N
XLogP1.30
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.57
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-chloro-3-(difluoromethyl)-5-methoxypyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Chloro-5-methoxy-3-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-one
CID 106705734
6-Chloro-5-methoxy-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 114585128
6-Chloro-5-methoxy-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 114585140
6-Chloro-5-methoxy-3-(4,4,4-trifluorobutyl)pyrimidin-4-one
CID 114585224
6-Chloro-3-(2,2-difluoroethyl)-5-methoxypyrimidin-4-one
CID 114585282
6-Chloro-3-(2-fluoroethyl)-5-methoxypyrimidin-4-one
CID 114585376
6-Chloro-3-(3-fluoropropyl)-5-methoxypyrimidin-4-one
CID 114585453
6-Chloro-5-methoxy-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-one
CID 114585481
6-Chloro-5-methoxy-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one
CID 114585497
6-Chloro-5-methoxypyrimidin-4-ol
CID 136292903
6-Chloro-5-methoxy-3-(methoxymethyl)pyrimidin-4-one
CID 114585211
6-Chloro-3-ethyl-5-methoxypyrimidin-4-one
CID 114585313

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(difluoromethyl)-5-methoxypyrimidin-4-one?
The IUPAC name of 6-chloro-3-(difluoromethyl)-5-methoxypyrimidin-4-one (CID 114585262) is 6-chloro-3-(difluoromethyl)-5-methoxypyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(difluoromethyl)-5-methoxypyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(difluoromethyl)-5-methoxypyrimidin-4-one is COc1c(Cl)ncn(C(F)F)c1=O.
What is the InChIKey of 6-chloro-3-(difluoromethyl)-5-methoxypyrimidin-4-one?
The InChIKey is FQBWGXKHPQYDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF2N2O2/c1-13-3-4(7)10-2-11(5(3)12)6(8)9/h2,6H,1H3.
What are the key properties of 6-chloro-3-(difluoromethyl)-5-methoxypyrimidin-4-one?
6-chloro-3-(difluoromethyl)-5-methoxypyrimidin-4-one has a molecular weight of 210.57 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(difluoromethyl)-5-methoxypyrimidin-4-one is sourced from PubChem (CID 114585262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).