3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S)-1-phenylethyl]propanamide

C17H21N3O2 — CID 135954015

IUPAC3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S)-1-phenylethyl]propanamide
SMILESCc1nc(C)c(CCC(=O)N[C@@H](C)c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C17H21N3O2/c1-11(14-7-5-4-6-8-14)19-16(21)10-9-15-12(2)18-13(3)20-17(15)22/h4-8,11H,9-10H2,1-3H3,(H,19,21)(H,18,20,22)/t11-/m0/s1
InChIKeyOAEMXPKDYMYTPP-NSHDSACASA-N
MW299.37 g/mol
LogP2.20
Rot. Bonds5

About 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S)-1-phenylethyl]propanamide

3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S)-1-phenylethyl]propanamide (PubChem CID 135954015) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S)-1-phenylethyl]propanamide
PubChem CID135954015
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S)-1-phenylethyl]propanamide
SMILESCc1nc(C)c(CCC(=O)N[C@@H](C)c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C17H21N3O2/c1-11(14-7-5-4-6-8-14)19-16(21)10-9-15-12(2)18-13(3)20-17(15)22/h4-8,11H,9-10H2,1-3H3,(H,19,21)(H,18,20,22)/t11-/m0/s1
InChIKeyOAEMXPKDYMYTPP-NSHDSACASA-N
XLogP2.20
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[1-(2-methylphenyl)ethyl]propanamide
CID 135930618
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135925527
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 135956284
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]propanamide
CID 136865934
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide
CID 135587917
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 135888063
N-(2-benzylphenyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135676896
3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(1-phenylethyl)propanamide
CID 51100400
3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(1-phenylethyl)propanamide
CID 110331547
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(1-phenylethyl)propanamide
CID 20863535
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-methyl-2-pyridinyl)propanamide
CID 135676927
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 137282541

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S)-1-phenylethyl]propanamide?
The IUPAC name of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S)-1-phenylethyl]propanamide (CID 135954015) is 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S)-1-phenylethyl]propanamide.
What is the SMILES notation for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S)-1-phenylethyl]propanamide?
The canonical SMILES for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S)-1-phenylethyl]propanamide is Cc1nc(C)c(CCC(=O)N[C@@H](C)c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S)-1-phenylethyl]propanamide?
The InChIKey is OAEMXPKDYMYTPP-NSHDSACASA-N. The full InChI is InChI=1S/C17H21N3O2/c1-11(14-7-5-4-6-8-14)19-16(21)10-9-15-12(2)18-13(3)20-17(15)22/h4-8,11H,9-10H2,1-3H3,(H,19,21)(H,18,20,22)/t11-/m0/s1.
What are the key properties of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S)-1-phenylethyl]propanamide?
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S)-1-phenylethyl]propanamide has a molecular weight of 299.37 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S)-1-phenylethyl]propanamide is sourced from PubChem (CID 135954015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).