(2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-phenylbutanamide

C16H19N3O2 — CID 42270881

IUPAC(2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-phenylbutanamide
SMILESCC[C@@H](C(=O)Nc1ccccc1)n1c(C)cc(C)nc1=O
InChIInChI=1S/C16H19N3O2/c1-4-14(15(20)18-13-8-6-5-7-9-13)19-12(3)10-11(2)17-16(19)21/h5-10,14H,4H2,1-3H3,(H,18,20)/t14-/m0/s1
InChIKeyBSIYQYJTUJRTMG-AWEZNQCLSA-N
MW285.35 g/mol
LogP2.45
Rot. Bonds4

About (2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-phenylbutanamide

(2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-phenylbutanamide (PubChem CID 42270881) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-phenylbutanamide.

Molecular Properties

Compound Name(2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-phenylbutanamide
PubChem CID42270881
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-phenylbutanamide
SMILESCC[C@@H](C(=O)Nc1ccccc1)n1c(C)cc(C)nc1=O
InChIInChI=1S/C16H19N3O2/c1-4-14(15(20)18-13-8-6-5-7-9-13)19-12(3)10-11(2)17-16(19)21/h5-10,14H,4H2,1-3H3,(H,18,20)/t14-/m0/s1
InChIKeyBSIYQYJTUJRTMG-AWEZNQCLSA-N
XLogP2.45
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3,4-dimethylphenyl)butanamide
CID 27261531
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]butanamide
CID 46304557
(2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[2-(trifluoromethyl)phenyl]butanamide
CID 42270893
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanamide
CID 46304609
2-(4-methyl-2-oxoquinolin-1-yl)-N-phenylbutanamide
CID 46301025
2-(3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide
CID 47406603
(1-anilino-1-oxobutan-2-yl) 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 18122343
ethyl 2-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoylamino]-4-phenylthiophene-3-carboxylate
CID 46304598
N-(4-methoxyphenyl)-2-(4-methyl-2-oxoquinolin-1-yl)butanamide
CID 46301055
methyl 6-[(2S)-1-anilino-1-oxobutan-2-yl]thieno[2,3-b]pyrrole-5-carboxylate
CID 93055530
N-(3-carbamothioylphenyl)-2-(2-methyl-6-oxo-1-pyridinyl)butanamide
CID 82031983
N-(4-acetamidophenyl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)butanamide
CID 46306702

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-phenylbutanamide?
The IUPAC name of (2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-phenylbutanamide (CID 42270881) is (2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-phenylbutanamide.
What is the SMILES notation for (2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-phenylbutanamide?
The canonical SMILES for (2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-phenylbutanamide is CC[C@@H](C(=O)Nc1ccccc1)n1c(C)cc(C)nc1=O.
What is the InChIKey of (2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-phenylbutanamide?
The InChIKey is BSIYQYJTUJRTMG-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-4-14(15(20)18-13-8-6-5-7-9-13)19-12(3)10-11(2)17-16(19)21/h5-10,14H,4H2,1-3H3,(H,18,20)/t14-/m0/s1.
What are the key properties of (2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-phenylbutanamide?
(2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-phenylbutanamide has a molecular weight of 285.35 g/mol, XLogP of 2.45, 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-phenylbutanamide is sourced from PubChem (CID 42270881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).