5-chloro-3-[(2,2-difluorocyclopropyl)methyl]pyrimidin-4-one

C8H7ClF2N2O — CID 166307278

IUPAC5-chloro-3-[(2,2-difluorocyclopropyl)methyl]pyrimidin-4-one
SMILESO=c1c(Cl)cncn1CC1CC1(F)F
InChIInChI=1S/C8H7ClF2N2O/c9-6-2-12-4-13(7(6)14)3-5-1-8(5,10)11/h2,4-5H,1,3H2
InChIKeySXBUYTRQEFOLAB-UHFFFAOYSA-N
MW220.61 g/mol
LogP1.55
Rot. Bonds2

About 5-chloro-3-[(2,2-difluorocyclopropyl)methyl]pyrimidin-4-one

5-chloro-3-[(2,2-difluorocyclopropyl)methyl]pyrimidin-4-one (PubChem CID 166307278) has the molecular formula C8H7ClF2N2O and a molecular weight of 220.61 g/mol. Its IUPAC name is 5-chloro-3-[(2,2-difluorocyclopropyl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-chloro-3-[(2,2-difluorocyclopropyl)methyl]pyrimidin-4-one
PubChem CID166307278
Molecular FormulaC8H7ClF2N2O
Molecular Weight220.61 g/mol
Exact Mass220.02
IUPAC Name5-chloro-3-[(2,2-difluorocyclopropyl)methyl]pyrimidin-4-one
SMILESO=c1c(Cl)cncn1CC1CC1(F)F
InChIInChI=1S/C8H7ClF2N2O/c9-6-2-12-4-13(7(6)14)3-5-1-8(5,10)11/h2,4-5H,1,3H2
InChIKeySXBUYTRQEFOLAB-UHFFFAOYSA-N
XLogP1.55
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.61
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-chloro-3-[(2,2-difluorocyclopropyl)methyl]pyrimidin-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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(2,2-difluorocyclopropyl)methyl]pyrimidin-4-one?
The IUPAC name of 5-chloro-3-[(2,2-difluorocyclopropyl)methyl]pyrimidin-4-one (CID 166307278) is 5-chloro-3-[(2,2-difluorocyclopropyl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5-chloro-3-[(2,2-difluorocyclopropyl)methyl]pyrimidin-4-one?
The canonical SMILES for 5-chloro-3-[(2,2-difluorocyclopropyl)methyl]pyrimidin-4-one is O=c1c(Cl)cncn1CC1CC1(F)F.
What is the InChIKey of 5-chloro-3-[(2,2-difluorocyclopropyl)methyl]pyrimidin-4-one?
The InChIKey is SXBUYTRQEFOLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2N2O/c9-6-2-12-4-13(7(6)14)3-5-1-8(5,10)11/h2,4-5H,1,3H2.
What are the key properties of 5-chloro-3-[(2,2-difluorocyclopropyl)methyl]pyrimidin-4-one?
5-chloro-3-[(2,2-difluorocyclopropyl)methyl]pyrimidin-4-one has a molecular weight of 220.61 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(2,2-difluorocyclopropyl)methyl]pyrimidin-4-one is sourced from PubChem (CID 166307278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).