4-(1,1-difluoroethyl)-6-methyl-1H-pyrimidin-2-one

C7H8F2N2O — CID 123325986

IUPAC4-(1,1-difluoroethyl)-6-methyl-1H-pyrimidin-2-one
SMILESCc1cc(C(C)(F)F)nc(=O)[nH]1
InChIInChI=1S/C7H8F2N2O/c1-4-3-5(7(2,8)9)11-6(12)10-4/h3H,1-2H3,(H,10,11,12)
InChIKeyRFHYFKJRPROBDE-UHFFFAOYSA-N
MW174.15 g/mol
LogP1.19
Rot. Bonds1

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

4-(1,1-difluoroethyl)-6-methyl-1H-pyrimidin-2-one (PubChem CID 123325986) has the molecular formula C7H8F2N2O and a molecular weight of 174.15 g/mol. Its IUPAC name is 4-(1,1-difluoroethyl)-6-methyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(1,1-difluoroethyl)-6-methyl-1H-pyrimidin-2-one
PubChem CID123325986
Molecular FormulaC7H8F2N2O
Molecular Weight174.15 g/mol
Exact Mass174.06
IUPAC Name4-(1,1-difluoroethyl)-6-methyl-1H-pyrimidin-2-one
SMILESCc1cc(C(C)(F)F)nc(=O)[nH]1
InChIInChI=1S/C7H8F2N2O/c1-4-3-5(7(2,8)9)11-6(12)10-4/h3H,1-2H3,(H,10,11,12)
InChIKeyRFHYFKJRPROBDE-UHFFFAOYSA-N
XLogP1.19
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Hydroxy-4,6-dimethylpyrimidine
CID 9508
4,6-Dimethyl-2(1H)-pyrimidinone hydrochloride
CID 12343166
4-Methyl-6-(trifluoromethyl)pyrimidin-2-ol
CID 4913130
4,6-Bis(trifluoromethyl)-2(1H)-pyrimidinone
CID 15525715
2-Hydroxy-4-tetrafluoroethyl-6-trifluoromethylpyrimidine
CID 129781351
6-methyl-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-pyrimidin-2-one
CID 135006296
2-Hydroxy-4,6-dimethylpyrimidine dihydrate
CID 20548799
4-Methyl-6-(propan-2-yl)pyrimidin-2-ol
CID 75454674
4,6-diethyl-5-fluoro-1H-pyrimidin-2-one
CID 151536836
6-Ethyl-4-methyl-1,2-dihydropyrimidin-2-one
CID 12343172
Diallyl pyrimidinone
CID 129859956
4,6-Dimethyl-2-pyrimidonium bromide
CID 168308236

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroethyl)-6-methyl-1H-pyrimidin-2-one?
The IUPAC name of 4-(1,1-difluoroethyl)-6-methyl-1H-pyrimidin-2-one (CID 123325986) is 4-(1,1-difluoroethyl)-6-methyl-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(1,1-difluoroethyl)-6-methyl-1H-pyrimidin-2-one?
The canonical SMILES for 4-(1,1-difluoroethyl)-6-methyl-1H-pyrimidin-2-one is Cc1cc(C(C)(F)F)nc(=O)[nH]1.
What is the InChIKey of 4-(1,1-difluoroethyl)-6-methyl-1H-pyrimidin-2-one?
The InChIKey is RFHYFKJRPROBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O/c1-4-3-5(7(2,8)9)11-6(12)10-4/h3H,1-2H3,(H,10,11,12).
What are the key properties of 4-(1,1-difluoroethyl)-6-methyl-1H-pyrimidin-2-one?
4-(1,1-difluoroethyl)-6-methyl-1H-pyrimidin-2-one has a molecular weight of 174.15 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroethyl)-6-methyl-1H-pyrimidin-2-one is sourced from PubChem (CID 123325986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).