6-chloro-3-(2,2-difluoroethyl)-5-methoxypyrimidin-4-one

C7H7ClF2N2O2 — CID 114585282

IUPAC6-chloro-3-(2,2-difluoroethyl)-5-methoxypyrimidin-4-one
SMILESCOc1c(Cl)ncn(CC(F)F)c1=O
InChIInChI=1S/C7H7ClF2N2O2/c1-14-5-6(8)11-3-12(7(5)13)2-4(9)10/h3-4H,2H2,1H3
InChIKeyJHANKMATTUHHBT-UHFFFAOYSA-N
MW224.59 g/mol
LogP1.17
Rot. Bonds3

About 6-chloro-3-(2,2-difluoroethyl)-5-methoxypyrimidin-4-one

6-chloro-3-(2,2-difluoroethyl)-5-methoxypyrimidin-4-one (PubChem CID 114585282) has the molecular formula C7H7ClF2N2O2 and a molecular weight of 224.59 g/mol. Its IUPAC name is 6-chloro-3-(2,2-difluoroethyl)-5-methoxypyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(2,2-difluoroethyl)-5-methoxypyrimidin-4-one
PubChem CID114585282
Molecular FormulaC7H7ClF2N2O2
Molecular Weight224.59 g/mol
Exact Mass224.02
IUPAC Name6-chloro-3-(2,2-difluoroethyl)-5-methoxypyrimidin-4-one
SMILESCOc1c(Cl)ncn(CC(F)F)c1=O
InChIInChI=1S/C7H7ClF2N2O2/c1-14-5-6(8)11-3-12(7(5)13)2-4(9)10/h3-4H,2H2,1H3
InChIKeyJHANKMATTUHHBT-UHFFFAOYSA-N
XLogP1.17
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.59
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidin-4-one
CID 114585152
6-Chloro-5-methoxy-3-(4,4,4-trifluorobutyl)pyrimidin-4-one
CID 114585224
6-Chloro-3-(difluoromethyl)-5-methoxypyrimidin-4-one
CID 114585262
6-Chloro-5-methoxy-3-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-one
CID 114585310
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-methoxy-3-(2-propoxyethyl)pyrimidin-4-one
CID 106455835

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2,2-difluoroethyl)-5-methoxypyrimidin-4-one?
The IUPAC name of 6-chloro-3-(2,2-difluoroethyl)-5-methoxypyrimidin-4-one (CID 114585282) is 6-chloro-3-(2,2-difluoroethyl)-5-methoxypyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(2,2-difluoroethyl)-5-methoxypyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(2,2-difluoroethyl)-5-methoxypyrimidin-4-one is COc1c(Cl)ncn(CC(F)F)c1=O.
What is the InChIKey of 6-chloro-3-(2,2-difluoroethyl)-5-methoxypyrimidin-4-one?
The InChIKey is JHANKMATTUHHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF2N2O2/c1-14-5-6(8)11-3-12(7(5)13)2-4(9)10/h3-4H,2H2,1H3.
What are the key properties of 6-chloro-3-(2,2-difluoroethyl)-5-methoxypyrimidin-4-one?
6-chloro-3-(2,2-difluoroethyl)-5-methoxypyrimidin-4-one has a molecular weight of 224.59 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2,2-difluoroethyl)-5-methoxypyrimidin-4-one is sourced from PubChem (CID 114585282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).