2-(2,2-difluoropropoxy)-3,5-dimethylpyrimidin-4-one

C9H12F2N2O2 — CID 159104968

IUPAC2-(2,2-difluoropropoxy)-3,5-dimethylpyrimidin-4-one
SMILESCc1cnc(OCC(C)(F)F)n(C)c1=O
InChIInChI=1S/C9H12F2N2O2/c1-6-4-12-8(13(3)7(6)14)15-5-9(2,10)11/h4H,5H2,1-3H3
InChIKeyKDTMMJQATIUMLU-UHFFFAOYSA-N
MW218.20 g/mol
LogP1.12
Rot. Bonds3

About 2-(2,2-difluoropropoxy)-3,5-dimethylpyrimidin-4-one

2-(2,2-difluoropropoxy)-3,5-dimethylpyrimidin-4-one (PubChem CID 159104968) has the molecular formula C9H12F2N2O2 and a molecular weight of 218.20 g/mol. Its IUPAC name is 2-(2,2-difluoropropoxy)-3,5-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name2-(2,2-difluoropropoxy)-3,5-dimethylpyrimidin-4-one
PubChem CID159104968
Molecular FormulaC9H12F2N2O2
Molecular Weight218.20 g/mol
Exact Mass218.09
IUPAC Name2-(2,2-difluoropropoxy)-3,5-dimethylpyrimidin-4-one
SMILESCc1cnc(OCC(C)(F)F)n(C)c1=O
InChIInChI=1S/C9H12F2N2O2/c1-6-4-12-8(13(3)7(6)14)15-5-9(2,10)11/h4H,5H2,1-3H3
InChIKeyKDTMMJQATIUMLU-UHFFFAOYSA-N
XLogP1.12
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoropropoxy)-3,5-dimethylpyrimidin-4-one?
The IUPAC name of 2-(2,2-difluoropropoxy)-3,5-dimethylpyrimidin-4-one (CID 159104968) is 2-(2,2-difluoropropoxy)-3,5-dimethylpyrimidin-4-one.
What is the SMILES notation for 2-(2,2-difluoropropoxy)-3,5-dimethylpyrimidin-4-one?
The canonical SMILES for 2-(2,2-difluoropropoxy)-3,5-dimethylpyrimidin-4-one is Cc1cnc(OCC(C)(F)F)n(C)c1=O.
What is the InChIKey of 2-(2,2-difluoropropoxy)-3,5-dimethylpyrimidin-4-one?
The InChIKey is KDTMMJQATIUMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O2/c1-6-4-12-8(13(3)7(6)14)15-5-9(2,10)11/h4H,5H2,1-3H3.
What are the key properties of 2-(2,2-difluoropropoxy)-3,5-dimethylpyrimidin-4-one?
2-(2,2-difluoropropoxy)-3,5-dimethylpyrimidin-4-one has a molecular weight of 218.20 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoropropoxy)-3,5-dimethylpyrimidin-4-one is sourced from PubChem (CID 159104968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).