[(2R)-2-[4-methyl-2,6-dioxo-3-[3-(trifluoromethyl)phenyl]pyrimidin-1-yl]propyl] acetate

C17H17F3N2O4 — CID 90254402

IUPAC[(2R)-2-[4-methyl-2,6-dioxo-3-[3-(trifluoromethyl)phenyl]pyrimidin-1-yl]propyl] acetate
SMILESCC(=O)OC[C@@H](C)n1c(=O)cc(C)n(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C17H17F3N2O4/c1-10-7-15(24)22(11(2)9-26-12(3)23)16(25)21(10)14-6-4-5-13(8-14)17(18,19)20/h4-8,11H,9H2,1-3H3/t11-/m1/s1
InChIKeyRAPFCGLSKJXBSU-LLVKDONJSA-N
MW370.33 g/mol
LogP2.45
Rot. Bonds4

About [(2R)-2-[4-methyl-2,6-dioxo-3-[3-(trifluoromethyl)phenyl]pyrimidin-1-yl]propyl] acetate

[(2R)-2-[4-methyl-2,6-dioxo-3-[3-(trifluoromethyl)phenyl]pyrimidin-1-yl]propyl] acetate (PubChem CID 90254402) has the molecular formula C17H17F3N2O4 and a molecular weight of 370.33 g/mol. Its IUPAC name is [(2R)-2-[4-methyl-2,6-dioxo-3-[3-(trifluoromethyl)phenyl]pyrimidin-1-yl]propyl] acetate.

Molecular Properties

Compound Name[(2R)-2-[4-methyl-2,6-dioxo-3-[3-(trifluoromethyl)phenyl]pyrimidin-1-yl]propyl] acetate
PubChem CID90254402
Molecular FormulaC17H17F3N2O4
Molecular Weight370.33 g/mol
Exact Mass370.11
IUPAC Name[(2R)-2-[4-methyl-2,6-dioxo-3-[3-(trifluoromethyl)phenyl]pyrimidin-1-yl]propyl] acetate
SMILESCC(=O)OC[C@@H](C)n1c(=O)cc(C)n(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C17H17F3N2O4/c1-10-7-15(24)22(11(2)9-26-12(3)23)16(25)21(10)14-6-4-5-13(8-14)17(18,19)20/h4-8,11H,9H2,1-3H3/t11-/m1/s1
InChIKeyRAPFCGLSKJXBSU-LLVKDONJSA-N
XLogP2.45
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
CID 91669634
2,3,5-trimethyl-1-[3-(trifluoromethyl)phenyl]pyrrole
CID 58636933
N-(1-amino-3-methyl-1-oxopentan-2-yl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 78814159
5-[2-(4-isocyanophenyl)pyrazol-3-yl]-3-[(2R)-1-methoxypropan-2-yl]-6-methyl-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
CID 123230023
[2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-2-oxoethyl] (2S)-2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate
CID 26057691
5-iodo-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2-one
CID 141151683
6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carbohydrazide
CID 167743128
[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl] 6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate
CID 46626045
cyanomethyl 6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate
CID 7613597
N-(1-aminopropan-2-yl)-N,6-dimethyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 119584444
[2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-2-oxoethyl] 4-(acetamidomethyl)benzoate
CID 46818899
(3R)-3-[3-(trifluoromethyl)phenoxy]butan-2-one
CID 6934258

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[4-methyl-2,6-dioxo-3-[3-(trifluoromethyl)phenyl]pyrimidin-1-yl]propyl] acetate?
The IUPAC name of [(2R)-2-[4-methyl-2,6-dioxo-3-[3-(trifluoromethyl)phenyl]pyrimidin-1-yl]propyl] acetate (CID 90254402) is [(2R)-2-[4-methyl-2,6-dioxo-3-[3-(trifluoromethyl)phenyl]pyrimidin-1-yl]propyl] acetate.
What is the SMILES notation for [(2R)-2-[4-methyl-2,6-dioxo-3-[3-(trifluoromethyl)phenyl]pyrimidin-1-yl]propyl] acetate?
The canonical SMILES for [(2R)-2-[4-methyl-2,6-dioxo-3-[3-(trifluoromethyl)phenyl]pyrimidin-1-yl]propyl] acetate is CC(=O)OC[C@@H](C)n1c(=O)cc(C)n(-c2cccc(C(F)(F)F)c2)c1=O.
What is the InChIKey of [(2R)-2-[4-methyl-2,6-dioxo-3-[3-(trifluoromethyl)phenyl]pyrimidin-1-yl]propyl] acetate?
The InChIKey is RAPFCGLSKJXBSU-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17F3N2O4/c1-10-7-15(24)22(11(2)9-26-12(3)23)16(25)21(10)14-6-4-5-13(8-14)17(18,19)20/h4-8,11H,9H2,1-3H3/t11-/m1/s1.
What are the key properties of [(2R)-2-[4-methyl-2,6-dioxo-3-[3-(trifluoromethyl)phenyl]pyrimidin-1-yl]propyl] acetate?
[(2R)-2-[4-methyl-2,6-dioxo-3-[3-(trifluoromethyl)phenyl]pyrimidin-1-yl]propyl] acetate has a molecular weight of 370.33 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[4-methyl-2,6-dioxo-3-[3-(trifluoromethyl)phenyl]pyrimidin-1-yl]propyl] acetate is sourced from PubChem (CID 90254402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).