2-(2-hydroxyphenyl)-5-methyl-3-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-4-one

C20H17F3N2O2 — CID 135537654

IUPAC2-(2-hydroxyphenyl)-5-methyl-3-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-4-one
SMILESCc1c(C(F)(F)F)nc(-c2ccccc2O)n(CCc2ccccc2)c1=O
InChIInChI=1S/C20H17F3N2O2/c1-13-17(20(21,22)23)24-18(15-9-5-6-10-16(15)26)25(19(13)27)12-11-14-7-3-2-4-8-14/h2-10,26H,11-12H2,1H3
InChIKeyYXSJWYIXYGYJNK-UHFFFAOYSA-N
MW374.36 g/mol
LogP4.19
Rot. Bonds4

About 2-(2-hydroxyphenyl)-5-methyl-3-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-4-one

2-(2-hydroxyphenyl)-5-methyl-3-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-4-one (PubChem CID 135537654) has the molecular formula C20H17F3N2O2 and a molecular weight of 374.36 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-5-methyl-3-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-5-methyl-3-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-4-one
PubChem CID135537654
Molecular FormulaC20H17F3N2O2
Molecular Weight374.36 g/mol
Exact Mass374.12
IUPAC Name2-(2-hydroxyphenyl)-5-methyl-3-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-4-one
SMILESCc1c(C(F)(F)F)nc(-c2ccccc2O)n(CCc2ccccc2)c1=O
InChIInChI=1S/C20H17F3N2O2/c1-13-17(20(21,22)23)24-18(15-9-5-6-10-16(15)26)25(19(13)27)12-11-14-7-3-2-4-8-14/h2-10,26H,11-12H2,1H3
InChIKeyYXSJWYIXYGYJNK-UHFFFAOYSA-N
XLogP4.19
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-phenethyl-3H-pyrimidin-4-one
CID 135515453
5-benzyl-2-(3-fluoro-2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4(3H)-one
CID 136334632
6-(2-hydroxyphenyl)-2-phenylpyrimidin-4-ol, Un-nameable (empty structure)
CID 135803995
2-(2-Hydroxyphenyl)-6-methyl-4-pyrimidinol
CID 135421721
2-(2-Hydroxy-phenyl)-5,6-dimethyl-3-phenethyl-3H-pyrimidin-4-one
CID 135422953
3-[2-(3-Fluoro-phenyl)-ethyl]-2-(2-hydroxy-phenyl)-6-methyl-5-propyl-3H-pyrimidin-4-one
CID 135423282
3-[2-(3-Fluoro-phenyl)-ethyl]-2-(2-hydroxy-phenyl)-5-isopropyl-6-methyl-3H-pyrimidin-4-one
CID 135430131
5-Ethyl-2-(2-hydroxy-phenyl)-6-methyl-3-phenethyl-3H-pyrimidin-4-one
CID 135454814
5-Cyclopropyl-3-[2-(3-fluoro-phenyl)-ethyl]-2-(2-hydroxy-phenyl)-6-methyl-3H-pyrimidin-4-one
CID 135508434
3-[2-(3-Fluoro-phenyl)-ethyl]-2-(2-hydroxy-phenyl)-5,6-dimethyl-3H-pyrimidin-4-one
CID 135540474
2-(2-hydroxyphenyl)-3-(2-phenylethyl)-5,6,7,7a-tetrahydro-4aH-cyclopenta[d]pyrimidin-4-one
CID 135964370
3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-5,6,7,7a-tetrahydro-4aH-cyclopenta[d]pyrimidin-4-one
CID 135964371

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-5-methyl-3-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-4-one?
The IUPAC name of 2-(2-hydroxyphenyl)-5-methyl-3-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-4-one (CID 135537654) is 2-(2-hydroxyphenyl)-5-methyl-3-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 2-(2-hydroxyphenyl)-5-methyl-3-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-4-one?
The canonical SMILES for 2-(2-hydroxyphenyl)-5-methyl-3-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-4-one is Cc1c(C(F)(F)F)nc(-c2ccccc2O)n(CCc2ccccc2)c1=O.
What is the InChIKey of 2-(2-hydroxyphenyl)-5-methyl-3-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-4-one?
The InChIKey is YXSJWYIXYGYJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O2/c1-13-17(20(21,22)23)24-18(15-9-5-6-10-16(15)26)25(19(13)27)12-11-14-7-3-2-4-8-14/h2-10,26H,11-12H2,1H3.
What are the key properties of 2-(2-hydroxyphenyl)-5-methyl-3-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-4-one?
2-(2-hydroxyphenyl)-5-methyl-3-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-4-one has a molecular weight of 374.36 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-5-methyl-3-(2-phenylethyl)-6-(trifluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 135537654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).