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

C14H13F3N2O2 — CID 135996619

IUPAC5-ethyl-4-methyl-2-[4-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(-c2ccc(OC(F)(F)F)cc2)[nH]c1=O
InChIInChI=1S/C14H13F3N2O2/c1-3-11-8(2)18-12(19-13(11)20)9-4-6-10(7-5-9)21-14(15,16)17/h4-7H,3H2,1-2H3,(H,18,19,20)
InChIKeyAAUWCZMKJUEWRL-UHFFFAOYSA-N
MW298.26 g/mol
LogP3.21
Rot. Bonds3

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

5-ethyl-4-methyl-2-[4-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one (PubChem CID 135996619) has the molecular formula C14H13F3N2O2 and a molecular weight of 298.26 g/mol. Its IUPAC name is 5-ethyl-4-methyl-2-[4-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-methyl-2-[4-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one
PubChem CID135996619
Molecular FormulaC14H13F3N2O2
Molecular Weight298.26 g/mol
Exact Mass298.09
IUPAC Name5-ethyl-4-methyl-2-[4-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(-c2ccc(OC(F)(F)F)cc2)[nH]c1=O
InChIInChI=1S/C14H13F3N2O2/c1-3-11-8(2)18-12(19-13(11)20)9-4-6-10(7-5-9)21-14(15,16)17/h4-7H,3H2,1-2H3,(H,18,19,20)
InChIKeyAAUWCZMKJUEWRL-UHFFFAOYSA-N
XLogP3.21
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-4-methyl-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one
CID 135996623
methyl 5-hydroxy-6-oxo-2-[4-(trifluoromethoxy)phenyl]-1H-pyrimidine-4-carboxylate
CID 136882814
4,5-dimethyl-2-[6-[2-[4-(trifluoromethoxy)phenyl]ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137274914
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
4,5-dimethyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 135966488
3-[2-(4-fluorophenyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]propanoic acid
CID 135973653
5-ethyl-4-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrimidin-6-one
CID 137005906
2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole
CID 168554030
methanamine;1-methyl-4-(trifluoromethoxy)benzene
CID 142968815
5-ethyl-2-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 47141897
2-(4-ethylphenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 55216244
2-(4-chlorophenyl)-6-[[4-(trifluoromethoxy)phenyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135920157

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-2-[4-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-methyl-2-[4-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one (CID 135996619) is 5-ethyl-4-methyl-2-[4-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-methyl-2-[4-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-methyl-2-[4-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one is CCc1c(C)nc(-c2ccc(OC(F)(F)F)cc2)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-methyl-2-[4-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one?
The InChIKey is AAUWCZMKJUEWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2/c1-3-11-8(2)18-12(19-13(11)20)9-4-6-10(7-5-9)21-14(15,16)17/h4-7H,3H2,1-2H3,(H,18,19,20).
What are the key properties of 5-ethyl-4-methyl-2-[4-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one?
5-ethyl-4-methyl-2-[4-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one has a molecular weight of 298.26 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-2-[4-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135996619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).