6-(difluoromethyl)-3-methylpyrimidin-4-one

C6H6F2N2O — CID 129260618

IUPAC6-(difluoromethyl)-3-methylpyrimidin-4-one
SMILESCn1cnc(C(F)F)cc1=O
InChIInChI=1S/C6H6F2N2O/c1-10-3-9-4(6(7)8)2-5(10)11/h2-3,6H,1H3
InChIKeyPIZWLJXOLKNKBE-UHFFFAOYSA-N
MW160.12 g/mol
LogP0.72
Rot. Bonds1

About 6-(difluoromethyl)-3-methylpyrimidin-4-one

6-(difluoromethyl)-3-methylpyrimidin-4-one (PubChem CID 129260618) has the molecular formula C6H6F2N2O and a molecular weight of 160.12 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-(difluoromethyl)-3-methylpyrimidin-4-one
PubChem CID129260618
Molecular FormulaC6H6F2N2O
Molecular Weight160.12 g/mol
Exact Mass160.04
IUPAC Name6-(difluoromethyl)-3-methylpyrimidin-4-one
SMILESCn1cnc(C(F)F)cc1=O
InChIInChI=1S/C6H6F2N2O/c1-10-3-9-4(6(7)8)2-5(10)11/h2-3,6H,1H3
InChIKeyPIZWLJXOLKNKBE-UHFFFAOYSA-N
XLogP0.72
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-methylpyrimidin-4-one?
The IUPAC name of 6-(difluoromethyl)-3-methylpyrimidin-4-one (CID 129260618) is 6-(difluoromethyl)-3-methylpyrimidin-4-one.
What is the SMILES notation for 6-(difluoromethyl)-3-methylpyrimidin-4-one?
The canonical SMILES for 6-(difluoromethyl)-3-methylpyrimidin-4-one is Cn1cnc(C(F)F)cc1=O.
What is the InChIKey of 6-(difluoromethyl)-3-methylpyrimidin-4-one?
The InChIKey is PIZWLJXOLKNKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2O/c1-10-3-9-4(6(7)8)2-5(10)11/h2-3,6H,1H3.
What are the key properties of 6-(difluoromethyl)-3-methylpyrimidin-4-one?
6-(difluoromethyl)-3-methylpyrimidin-4-one has a molecular weight of 160.12 g/mol, XLogP of 0.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-methylpyrimidin-4-one is sourced from PubChem (CID 129260618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).