N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2,6-dimethylpyrimidine-4-carboxamide

C16H18N4O2 — CID 131889440

IUPACN-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2,6-dimethylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)nc(C)n1
InChIInChI=1S/C16H18N4O2/c1-10-8-14(19-11(2)18-10)16(22)20-13(15(17)21)9-12-6-4-3-5-7-12/h3-8,13H,9H2,1-2H3,(H2,17,21)(H,20,22)/t13-/m0/s1
InChIKeyOGXLRYKWGGDUGD-ZDUSSCGKSA-N
MW298.35 g/mol
LogP0.92
Rot. Bonds5

About N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2,6-dimethylpyrimidine-4-carboxamide

N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2,6-dimethylpyrimidine-4-carboxamide (PubChem CID 131889440) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2,6-dimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2,6-dimethylpyrimidine-4-carboxamide
PubChem CID131889440
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2,6-dimethylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)nc(C)n1
InChIInChI=1S/C16H18N4O2/c1-10-8-14(19-11(2)18-10)16(22)20-13(15(17)21)9-12-6-4-3-5-7-12/h3-8,13H,9H2,1-2H3,(H2,17,21)(H,20,22)/t13-/m0/s1
InChIKeyOGXLRYKWGGDUGD-ZDUSSCGKSA-N
XLogP0.92
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-[(2-methylpyrimidine-4-carbonyl)amino]-3-phenylpropanoate
CID 99803493
2-(1-amino-2-methylpropyl)-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-4-carboxamide
CID 3836314
(2S)-2-[(6-methylpyridine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 30075662
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 68727023
2-acetamido-3-phenylpropanamide;ethane
CID 144643683
2,6-dimethyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 110847887
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1,6-naphthyridine-2-carboxamide
CID 73314123
2-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanamide
CID 119306654
5-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]thiophene-2-carboxylic acid
CID 146128298
tert-butyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)carbamate
CID 546323
benzyl N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamate;hydrochloride
CID 159595061
2-[(2-acetamido-3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 15923651

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2,6-dimethylpyrimidine-4-carboxamide?
The IUPAC name of N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2,6-dimethylpyrimidine-4-carboxamide (CID 131889440) is N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2,6-dimethylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2,6-dimethylpyrimidine-4-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2,6-dimethylpyrimidine-4-carboxamide is Cc1cc(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)nc(C)n1.
What is the InChIKey of N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2,6-dimethylpyrimidine-4-carboxamide?
The InChIKey is OGXLRYKWGGDUGD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-10-8-14(19-11(2)18-10)16(22)20-13(15(17)21)9-12-6-4-3-5-7-12/h3-8,13H,9H2,1-2H3,(H2,17,21)(H,20,22)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2,6-dimethylpyrimidine-4-carboxamide?
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2,6-dimethylpyrimidine-4-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2,6-dimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 131889440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).