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

C6H6F2N2O2 — CID 139637763

IUPAC4-(difluoromethoxy)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(OC(F)F)cc(=O)[nH]1
InChIInChI=1S/C6H6F2N2O2/c1-3-9-4(11)2-5(10-3)12-6(7)8/h2,6H,1H3,(H,9,10,11)
InChIKeySTOXSMXDEQCFDA-UHFFFAOYSA-N
MW176.12 g/mol
LogP0.68
Rot. Bonds2

About 4-(difluoromethoxy)-2-methyl-1H-pyrimidin-6-one

4-(difluoromethoxy)-2-methyl-1H-pyrimidin-6-one (PubChem CID 139637763) has the molecular formula C6H6F2N2O2 and a molecular weight of 176.12 g/mol. Its IUPAC name is 4-(difluoromethoxy)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(difluoromethoxy)-2-methyl-1H-pyrimidin-6-one
PubChem CID139637763
Molecular FormulaC6H6F2N2O2
Molecular Weight176.12 g/mol
Exact Mass176.04
IUPAC Name4-(difluoromethoxy)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(OC(F)F)cc(=O)[nH]1
InChIInChI=1S/C6H6F2N2O2/c1-3-9-4(11)2-5(10-3)12-6(7)8/h2,6H,1H3,(H,9,10,11)
InChIKeySTOXSMXDEQCFDA-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 4-(difluoromethoxy)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(difluoromethoxy)-2-methyl-1H-pyrimidin-6-one (CID 139637763) is 4-(difluoromethoxy)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(difluoromethoxy)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(difluoromethoxy)-2-methyl-1H-pyrimidin-6-one is Cc1nc(OC(F)F)cc(=O)[nH]1.
What is the InChIKey of 4-(difluoromethoxy)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is STOXSMXDEQCFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2O2/c1-3-9-4(11)2-5(10-3)12-6(7)8/h2,6H,1H3,(H,9,10,11).
What are the key properties of 4-(difluoromethoxy)-2-methyl-1H-pyrimidin-6-one?
4-(difluoromethoxy)-2-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 4-(difluoromethoxy)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 139637763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).