3-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]-6-propan-2-ylpyrimidin-4-one

C17H19F3N2O2 — CID 102553774

IUPAC3-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]-6-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1cc(=O)n(CC(C)(O)c2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C17H19F3N2O2/c1-11(2)14-8-15(23)22(10-21-14)9-16(3,24)12-5-4-6-13(7-12)17(18,19)20/h4-8,10-11,24H,9H2,1-3H3
InChIKeyOUEAZUSTQJUQRC-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.29
Rot. Bonds4

About 3-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]-6-propan-2-ylpyrimidin-4-one

3-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]-6-propan-2-ylpyrimidin-4-one (PubChem CID 102553774) has the molecular formula C17H19F3N2O2 and a molecular weight of 340.35 g/mol. Its IUPAC name is 3-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]-6-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]-6-propan-2-ylpyrimidin-4-one
PubChem CID102553774
Molecular FormulaC17H19F3N2O2
Molecular Weight340.35 g/mol
Exact Mass340.14
IUPAC Name3-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]-6-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1cc(=O)n(CC(C)(O)c2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C17H19F3N2O2/c1-11(2)14-8-15(23)22(10-21-14)9-16(3,24)12-5-4-6-13(7-12)17(18,19)20/h4-8,10-11,24H,9H2,1-3H3
InChIKeyOUEAZUSTQJUQRC-UHFFFAOYSA-N
XLogP3.29
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
CID 102560996
6,6,6-trifluoro-2-[3-(trifluoromethyl)phenyl]hexan-2-ol
CID 116535882
3-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]-methylamino]-N,2-dimethylpropanamide
CID 111635202
(2R)-1-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]-2-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 95274058
3-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 43381303
(2R)-1-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 97087124
1-(pyridin-2-ylmethylamino)-2-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 111121601
1,3-dimethyl-7-[2-[3-(trifluoromethyl)anilino]ethyl]purine-2,6-dione
CID 24562265
3-hydroxy-2-propan-2-yl-3-[3-(trifluoromethyl)phenyl]butanoic acid
CID 62397829
5-[[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]amino]-1,3-dimethylbenzimidazol-2-one
CID 99774064
N-propan-2-yl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 100816389
1,1,2,2-tetrakis[3-(trifluoromethyl)phenyl]ethane-1,2-diol
CID 3857608

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]-6-propan-2-ylpyrimidin-4-one?
The IUPAC name of 3-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]-6-propan-2-ylpyrimidin-4-one (CID 102553774) is 3-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]-6-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 3-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]-6-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 3-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]-6-propan-2-ylpyrimidin-4-one is CC(C)c1cc(=O)n(CC(C)(O)c2cccc(C(F)(F)F)c2)cn1.
What is the InChIKey of 3-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]-6-propan-2-ylpyrimidin-4-one?
The InChIKey is OUEAZUSTQJUQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O2/c1-11(2)14-8-15(23)22(10-21-14)9-16(3,24)12-5-4-6-13(7-12)17(18,19)20/h4-8,10-11,24H,9H2,1-3H3.
What are the key properties of 3-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]-6-propan-2-ylpyrimidin-4-one?
3-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]-6-propan-2-ylpyrimidin-4-one has a molecular weight of 340.35 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]-6-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 102553774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).