2-[3-(difluoromethyl)phenyl]-4-ethyl-5-methyl-1H-pyrimidin-6-one

C14H14F2N2O — CID 137012814

IUPAC2-[3-(difluoromethyl)phenyl]-4-ethyl-5-methyl-1H-pyrimidin-6-one
SMILESCCc1nc(-c2cccc(C(F)F)c2)[nH]c(=O)c1C
InChIInChI=1S/C14H14F2N2O/c1-3-11-8(2)14(19)18-13(17-11)10-6-4-5-9(7-10)12(15)16/h4-7,12H,3H2,1-2H3,(H,17,18,19)
InChIKeyLXEOWLKNBIGABE-UHFFFAOYSA-N
MW264.27 g/mol
LogP3.25
Rot. Bonds3

About 2-[3-(difluoromethyl)phenyl]-4-ethyl-5-methyl-1H-pyrimidin-6-one

2-[3-(difluoromethyl)phenyl]-4-ethyl-5-methyl-1H-pyrimidin-6-one (PubChem CID 137012814) has the molecular formula C14H14F2N2O and a molecular weight of 264.27 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)phenyl]-4-ethyl-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[3-(difluoromethyl)phenyl]-4-ethyl-5-methyl-1H-pyrimidin-6-one
PubChem CID137012814
Molecular FormulaC14H14F2N2O
Molecular Weight264.27 g/mol
Exact Mass264.11
IUPAC Name2-[3-(difluoromethyl)phenyl]-4-ethyl-5-methyl-1H-pyrimidin-6-one
SMILESCCc1nc(-c2cccc(C(F)F)c2)[nH]c(=O)c1C
InChIInChI=1S/C14H14F2N2O/c1-3-11-8(2)14(19)18-13(17-11)10-6-4-5-9(7-10)12(15)16/h4-7,12H,3H2,1-2H3,(H,17,18,19)
InChIKeyLXEOWLKNBIGABE-UHFFFAOYSA-N
XLogP3.25
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(difluoromethyl)phenyl]-4-propan-2-yl-1H-pyrimidin-6-one
CID 137012797
4-ethyl-2-(2-fluorophenyl)-5-methyl-1H-pyrimidin-6-one
CID 136668750
5-bromo-4-cyclopropyl-2-[3-(difluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 137012840
2-(2-chloro-6-methoxyphenyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136775571
2-(2-bromo-5-methoxyphenyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136774553
2-(5-chloro-1-methylimidazol-2-yl)-4-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136932082
2-(3-aminophenyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136764468
2-[3-(2-fluoro-1-hydroxyethyl)phenyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 167846202
4-methyl-2-(3-methylphenyl)-5-propyl-1H-pyrimidin-6-one
CID 135418931
4-hydroxy-2-(3-methylphenyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 55217017
5-ethyl-4-hydroxy-2-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 63613617
[2-[3-(difluoromethyl)phenyl]-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 115528611

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)phenyl]-4-ethyl-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[3-(difluoromethyl)phenyl]-4-ethyl-5-methyl-1H-pyrimidin-6-one (CID 137012814) is 2-[3-(difluoromethyl)phenyl]-4-ethyl-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[3-(difluoromethyl)phenyl]-4-ethyl-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[3-(difluoromethyl)phenyl]-4-ethyl-5-methyl-1H-pyrimidin-6-one is CCc1nc(-c2cccc(C(F)F)c2)[nH]c(=O)c1C.
What is the InChIKey of 2-[3-(difluoromethyl)phenyl]-4-ethyl-5-methyl-1H-pyrimidin-6-one?
The InChIKey is LXEOWLKNBIGABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O/c1-3-11-8(2)14(19)18-13(17-11)10-6-4-5-9(7-10)12(15)16/h4-7,12H,3H2,1-2H3,(H,17,18,19).
What are the key properties of 2-[3-(difluoromethyl)phenyl]-4-ethyl-5-methyl-1H-pyrimidin-6-one?
2-[3-(difluoromethyl)phenyl]-4-ethyl-5-methyl-1H-pyrimidin-6-one has a molecular weight of 264.27 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)phenyl]-4-ethyl-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137012814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).