(2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3,4-dimethylphenyl)butanamide

C18H23N3O2 — CID 27261531

IUPAC(2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3,4-dimethylphenyl)butanamide
SMILESCC[C@@H](C(=O)Nc1ccc(C)c(C)c1)n1c(C)cc(C)nc1=O
InChIInChI=1S/C18H23N3O2/c1-6-16(21-14(5)10-13(4)19-18(21)23)17(22)20-15-8-7-11(2)12(3)9-15/h7-10,16H,6H2,1-5H3,(H,20,22)/t16-/m0/s1
InChIKeyWYLPIUCWRYLIJS-INIZCTEOSA-N
MW313.40 g/mol
LogP3.07
Rot. Bonds4

About (2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3,4-dimethylphenyl)butanamide

(2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3,4-dimethylphenyl)butanamide (PubChem CID 27261531) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3,4-dimethylphenyl)butanamide.

Molecular Properties

Compound Name(2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3,4-dimethylphenyl)butanamide
PubChem CID27261531
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name(2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3,4-dimethylphenyl)butanamide
SMILESCC[C@@H](C(=O)Nc1ccc(C)c(C)c1)n1c(C)cc(C)nc1=O
InChIInChI=1S/C18H23N3O2/c1-6-16(21-14(5)10-13(4)19-18(21)23)17(22)20-15-8-7-11(2)12(3)9-15/h7-10,16H,6H2,1-5H3,(H,20,22)/t16-/m0/s1
InChIKeyWYLPIUCWRYLIJS-INIZCTEOSA-N
XLogP3.07
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.07
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
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[4-(dimethylsulfamoyl)phenyl]butanamide
CID 46304557
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)butanamide
CID 46304561
(2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[2-(trifluoromethyl)phenyl]butanamide
CID 42270893
2-(1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanyl-N-(3,4-dimethylphenyl)butanamide
CID 42739472
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanamide
CID 46304609
N-(3,4-dimethylphenyl)-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)butanamide
CID 46301501
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(3,4-dimethylphenyl)butanamide
CID 53056570
N-(3,4-dimethylphenyl)-3-(ethylamino)-2-methylpropanamide
CID 62852690
(2R)-N-(3,4-dimethoxyphenyl)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]butanamide
CID 92887516
(2S,3R,4S)-N-(3,4-dimethylphenyl)-2,3,4,5-tetrahydroxypentanamide
CID 6991445
(2R,3S,4R)-N-(3,4-dimethylphenyl)-2,3,4,5-tetrahydroxypentanamide
CID 1097617

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3,4-dimethylphenyl)butanamide?
The IUPAC name of (2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3,4-dimethylphenyl)butanamide (CID 27261531) is (2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3,4-dimethylphenyl)butanamide.
What is the SMILES notation for (2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3,4-dimethylphenyl)butanamide?
The canonical SMILES for (2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3,4-dimethylphenyl)butanamide is CC[C@@H](C(=O)Nc1ccc(C)c(C)c1)n1c(C)cc(C)nc1=O.
What is the InChIKey of (2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3,4-dimethylphenyl)butanamide?
The InChIKey is WYLPIUCWRYLIJS-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-6-16(21-14(5)10-13(4)19-18(21)23)17(22)20-15-8-7-11(2)12(3)9-15/h7-10,16H,6H2,1-5H3,(H,20,22)/t16-/m0/s1.
What are the key properties of (2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3,4-dimethylphenyl)butanamide?
(2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(3,4-dimethylphenyl)butanamide has a molecular weight of 313.40 g/mol, XLogP of 3.07, 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-(3,4-dimethylphenyl)butanamide is sourced from PubChem (CID 27261531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).