1-ethyl-6-phenyl-4-[3-(trifluoromethyl)phenyl]pyrimidin-2-one

C19H15F3N2O — CID 158368432

IUPAC1-ethyl-6-phenyl-4-[3-(trifluoromethyl)phenyl]pyrimidin-2-one
SMILESCCn1c(-c2ccccc2)cc(-c2cccc(C(F)(F)F)c2)nc1=O
InChIInChI=1S/C19H15F3N2O/c1-2-24-17(13-7-4-3-5-8-13)12-16(23-18(24)25)14-9-6-10-15(11-14)19(20,21)22/h3-12H,2H2,1H3
InChIKeyGUHTYFMKNHVDTN-UHFFFAOYSA-N
MW344.34 g/mol
LogP4.62
Rot. Bonds3

About 1-ethyl-6-phenyl-4-[3-(trifluoromethyl)phenyl]pyrimidin-2-one

1-ethyl-6-phenyl-4-[3-(trifluoromethyl)phenyl]pyrimidin-2-one (PubChem CID 158368432) has the molecular formula C19H15F3N2O and a molecular weight of 344.34 g/mol. Its IUPAC name is 1-ethyl-6-phenyl-4-[3-(trifluoromethyl)phenyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-ethyl-6-phenyl-4-[3-(trifluoromethyl)phenyl]pyrimidin-2-one
PubChem CID158368432
Molecular FormulaC19H15F3N2O
Molecular Weight344.34 g/mol
Exact Mass344.11
IUPAC Name1-ethyl-6-phenyl-4-[3-(trifluoromethyl)phenyl]pyrimidin-2-one
SMILESCCn1c(-c2ccccc2)cc(-c2cccc(C(F)(F)F)c2)nc1=O
InChIInChI=1S/C19H15F3N2O/c1-2-24-17(13-7-4-3-5-8-13)12-16(23-18(24)25)14-9-6-10-15(11-14)19(20,21)22/h3-12H,2H2,1H3
InChIKeyGUHTYFMKNHVDTN-UHFFFAOYSA-N
XLogP4.62
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-3-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione
CID 113299989
2,4-dimethyl-6-[3-(trifluoromethyl)phenyl]pyridine
CID 119015408
1-ethyl-5-nitroso-2-[3-(trifluoromethyl)phenyl]indole
CID 174901786
3-ethyl-5-iodo-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxylic acid
CID 67133111
1-ethyl-2-[3-(trifluoromethyl)phenyl]indol-5-amine
CID 118466537
2-ethyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 80935689
8-ethyl-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 3928035
5-methyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]pyridine
CID 168821693
2-methylsulfonyl-4-phenylmethoxy-6-[3-(trifluoromethyl)phenyl]pyrimidine
CID 68823026
3-(4-methoxyphenyl)-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazole
CID 16751865
2-chloro-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine
CID 57468661
3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pentan-3-amine
CID 61337275

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-phenyl-4-[3-(trifluoromethyl)phenyl]pyrimidin-2-one?
The IUPAC name of 1-ethyl-6-phenyl-4-[3-(trifluoromethyl)phenyl]pyrimidin-2-one (CID 158368432) is 1-ethyl-6-phenyl-4-[3-(trifluoromethyl)phenyl]pyrimidin-2-one.
What is the SMILES notation for 1-ethyl-6-phenyl-4-[3-(trifluoromethyl)phenyl]pyrimidin-2-one?
The canonical SMILES for 1-ethyl-6-phenyl-4-[3-(trifluoromethyl)phenyl]pyrimidin-2-one is CCn1c(-c2ccccc2)cc(-c2cccc(C(F)(F)F)c2)nc1=O.
What is the InChIKey of 1-ethyl-6-phenyl-4-[3-(trifluoromethyl)phenyl]pyrimidin-2-one?
The InChIKey is GUHTYFMKNHVDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O/c1-2-24-17(13-7-4-3-5-8-13)12-16(23-18(24)25)14-9-6-10-15(11-14)19(20,21)22/h3-12H,2H2,1H3.
What are the key properties of 1-ethyl-6-phenyl-4-[3-(trifluoromethyl)phenyl]pyrimidin-2-one?
1-ethyl-6-phenyl-4-[3-(trifluoromethyl)phenyl]pyrimidin-2-one has a molecular weight of 344.34 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-phenyl-4-[3-(trifluoromethyl)phenyl]pyrimidin-2-one is sourced from PubChem (CID 158368432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).