(2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[2-(trifluoromethyl)phenyl]butanamide

C17H18F3N3O2 — CID 42270893

IUPAC(2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[2-(trifluoromethyl)phenyl]butanamide
SMILESCC[C@@H](C(=O)Nc1ccccc1C(F)(F)F)n1c(C)cc(C)nc1=O
InChIInChI=1S/C17H18F3N3O2/c1-4-14(23-11(3)9-10(2)21-16(23)25)15(24)22-13-8-6-5-7-12(13)17(18,19)20/h5-9,14H,4H2,1-3H3,(H,22,24)/t14-/m0/s1
InChIKeyRESVXRWLNDONDO-AWEZNQCLSA-N
MW353.34 g/mol
LogP3.47
Rot. Bonds4

About (2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[2-(trifluoromethyl)phenyl]butanamide

(2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[2-(trifluoromethyl)phenyl]butanamide (PubChem CID 42270893) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is (2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[2-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[2-(trifluoromethyl)phenyl]butanamide
PubChem CID42270893
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC Name(2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[2-(trifluoromethyl)phenyl]butanamide
SMILESCC[C@@H](C(=O)Nc1ccccc1C(F)(F)F)n1c(C)cc(C)nc1=O
InChIInChI=1S/C17H18F3N3O2/c1-4-14(23-11(3)9-10(2)21-16(23)25)15(24)22-13-8-6-5-7-12(13)17(18,19)20/h5-9,14H,4H2,1-3H3,(H,22,24)/t14-/m0/s1
InChIKeyRESVXRWLNDONDO-AWEZNQCLSA-N
XLogP3.47
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-phenylbutanamide
CID 42270881
(2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3,4-dimethylphenyl)butanamide
CID 27261531
2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-[2-(trifluoromethyl)phenyl]butanamide
CID 46305428
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]butanamide
CID 46304557
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(trifluoromethyl)phenyl]butanamide
CID 4906707
(2S)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-methylphenyl)butanamide
CID 92887461
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanamide
CID 46304609
(2R)-N-(2-chlorophenyl)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]butanamide
CID 92887510
(2R)-2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 42353218
1-(1,5-dimethylpyrazol-3-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 108813241
7-(difluoromethyl)-5-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416192
1-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122322429

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[2-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of (2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[2-(trifluoromethyl)phenyl]butanamide (CID 42270893) is (2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[2-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for (2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[2-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for (2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[2-(trifluoromethyl)phenyl]butanamide is CC[C@@H](C(=O)Nc1ccccc1C(F)(F)F)n1c(C)cc(C)nc1=O.
What is the InChIKey of (2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[2-(trifluoromethyl)phenyl]butanamide?
The InChIKey is RESVXRWLNDONDO-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c1-4-14(23-11(3)9-10(2)21-16(23)25)15(24)22-13-8-6-5-7-12(13)17(18,19)20/h5-9,14H,4H2,1-3H3,(H,22,24)/t14-/m0/s1.
What are the key properties of (2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[2-(trifluoromethyl)phenyl]butanamide?
(2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[2-(trifluoromethyl)phenyl]butanamide has a molecular weight of 353.34 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[2-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 42270893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).