6-(difluoromethyl)-3-(methoxymethyl)pyrimidin-4-one

C7H8F2N2O2 — CID 130711092

IUPAC6-(difluoromethyl)-3-(methoxymethyl)pyrimidin-4-one
SMILESCOCn1cnc(C(F)F)cc1=O
InChIInChI=1S/C7H8F2N2O2/c1-13-4-11-3-10-5(7(8)9)2-6(11)12/h2-3,7H,4H2,1H3
InChIKeyODZHIXIOZKPURR-UHFFFAOYSA-N
MW190.15 g/mol
LogP0.78
Rot. Bonds3

About 6-(difluoromethyl)-3-(methoxymethyl)pyrimidin-4-one

6-(difluoromethyl)-3-(methoxymethyl)pyrimidin-4-one (PubChem CID 130711092) has the molecular formula C7H8F2N2O2 and a molecular weight of 190.15 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-(methoxymethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-(difluoromethyl)-3-(methoxymethyl)pyrimidin-4-one
PubChem CID130711092
Molecular FormulaC7H8F2N2O2
Molecular Weight190.15 g/mol
Exact Mass190.06
IUPAC Name6-(difluoromethyl)-3-(methoxymethyl)pyrimidin-4-one
SMILESCOCn1cnc(C(F)F)cc1=O
InChIInChI=1S/C7H8F2N2O2/c1-13-4-11-3-10-5(7(8)9)2-6(11)12/h2-3,7H,4H2,1H3
InChIKeyODZHIXIOZKPURR-UHFFFAOYSA-N
XLogP0.78
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Potassium 1-methyl-6-oxo-4-(trifluoromethyl)1,6-dihydropyrimidin-2-olate
CID 138756302
2-Ethoxy-3-methyl-6-(trifluoromethyl)pyrimidin-4(3h)-one
CID 138756307
3-Methyl-6-(trifluoromethyl)pyrimidin-4-one
CID 21510767
3-Propan-2-yl-6-(trifluoromethyl)pyrimidin-4-one
CID 21510775
3-Propyl-6-(trifluoromethyl)pyrimidin-4-one
CID 21510786
3-(2-Methoxyethyl)-6-(trifluoromethyl)pyrimidin-4-one
CID 21510787
3-[(E)-but-2-enyl]-6-(trifluoromethyl)pyrimidin-4-one
CID 21510801
6-Oxo-4-(trifluoromethyl)pyrimidine-1-carbonitrile
CID 21570737
1-Methyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-olate
CID 22974786
3-But-2-enyl-6-(trifluoromethyl)pyrimidin-4-one
CID 54128429
3-(2,2-Difluoroethyl)-6-methylpyrimidin-4-one
CID 127012678
6-(Difluoromethyl)-3-methylpyrimidin-4-one
CID 129260618

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-(methoxymethyl)pyrimidin-4-one?
The IUPAC name of 6-(difluoromethyl)-3-(methoxymethyl)pyrimidin-4-one (CID 130711092) is 6-(difluoromethyl)-3-(methoxymethyl)pyrimidin-4-one.
What is the SMILES notation for 6-(difluoromethyl)-3-(methoxymethyl)pyrimidin-4-one?
The canonical SMILES for 6-(difluoromethyl)-3-(methoxymethyl)pyrimidin-4-one is COCn1cnc(C(F)F)cc1=O.
What is the InChIKey of 6-(difluoromethyl)-3-(methoxymethyl)pyrimidin-4-one?
The InChIKey is ODZHIXIOZKPURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O2/c1-13-4-11-3-10-5(7(8)9)2-6(11)12/h2-3,7H,4H2,1H3.
What are the key properties of 6-(difluoromethyl)-3-(methoxymethyl)pyrimidin-4-one?
6-(difluoromethyl)-3-(methoxymethyl)pyrimidin-4-one has a molecular weight of 190.15 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-(methoxymethyl)pyrimidin-4-one is sourced from PubChem (CID 130711092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).