5-chloro-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one

C6H5ClF2N2O2 — CID 114676544

IUPAC5-chloro-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OCC(F)F)c1Cl
InChIInChI=1S/C6H5ClF2N2O2/c7-4-5(12)10-2-11-6(4)13-1-3(8)9/h2-3H,1H2,(H,10,11,12)
InChIKeyRPMNVHICKFBVRH-UHFFFAOYSA-N
MW210.57 g/mol
LogP1.07
Rot. Bonds3

About 5-chloro-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one

5-chloro-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one (PubChem CID 114676544) has the molecular formula C6H5ClF2N2O2 and a molecular weight of 210.57 g/mol. Its IUPAC name is 5-chloro-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one
PubChem CID114676544
Molecular FormulaC6H5ClF2N2O2
Molecular Weight210.57 g/mol
Exact Mass210.00
IUPAC Name5-chloro-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OCC(F)F)c1Cl
InChIInChI=1S/C6H5ClF2N2O2/c7-4-5(12)10-2-11-6(4)13-1-3(8)9/h2-3H,1H2,(H,10,11,12)
InChIKeyRPMNVHICKFBVRH-UHFFFAOYSA-N
XLogP1.07
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.57
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one 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-(2,2-difluoroethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one (CID 114676544) is 5-chloro-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one is O=c1[nH]cnc(OCC(F)F)c1Cl.
What is the InChIKey of 5-chloro-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one?
The InChIKey is RPMNVHICKFBVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF2N2O2/c7-4-5(12)10-2-11-6(4)13-1-3(8)9/h2-3H,1H2,(H,10,11,12).
What are the key properties of 5-chloro-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one?
5-chloro-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one has a molecular weight of 210.57 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 114676544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).