2-(difluoromethoxy)-5-methyl-1H-pyrimidin-6-one

C6H6F2N2O2 — CID 131843210

IUPAC2-(difluoromethoxy)-5-methyl-1H-pyrimidin-6-one
SMILESCc1cnc(OC(F)F)[nH]c1=O
InChIInChI=1S/C6H6F2N2O2/c1-3-2-9-6(10-4(3)11)12-5(7)8/h2,5H,1H3,(H,9,10,11)
InChIKeyFNXQFSAKTZQDCQ-UHFFFAOYSA-N
MW176.12 g/mol
LogP0.68
Rot. Bonds2

About 2-(difluoromethoxy)-5-methyl-1H-pyrimidin-6-one

2-(difluoromethoxy)-5-methyl-1H-pyrimidin-6-one (PubChem CID 131843210) has the molecular formula C6H6F2N2O2 and a molecular weight of 176.12 g/mol. Its IUPAC name is 2-(difluoromethoxy)-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(difluoromethoxy)-5-methyl-1H-pyrimidin-6-one
PubChem CID131843210
Molecular FormulaC6H6F2N2O2
Molecular Weight176.12 g/mol
Exact Mass176.04
IUPAC Name2-(difluoromethoxy)-5-methyl-1H-pyrimidin-6-one
SMILESCc1cnc(OC(F)F)[nH]c1=O
InChIInChI=1S/C6H6F2N2O2/c1-3-2-9-6(10-4(3)11)12-5(7)8/h2,5H,1H3,(H,9,10,11)
InChIKeyFNXQFSAKTZQDCQ-UHFFFAOYSA-N
XLogP0.68
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.12
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(difluoromethoxy)-5-methyl-1H-pyrimidin-6-one (CID 131843210) is 2-(difluoromethoxy)-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(difluoromethoxy)-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(difluoromethoxy)-5-methyl-1H-pyrimidin-6-one is Cc1cnc(OC(F)F)[nH]c1=O.
What is the InChIKey of 2-(difluoromethoxy)-5-methyl-1H-pyrimidin-6-one?
The InChIKey is FNXQFSAKTZQDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2O2/c1-3-2-9-6(10-4(3)11)12-5(7)8/h2,5H,1H3,(H,9,10,11).
What are the key properties of 2-(difluoromethoxy)-5-methyl-1H-pyrimidin-6-one?
2-(difluoromethoxy)-5-methyl-1H-pyrimidin-6-one has a molecular weight of 176.12 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 131843210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).