2-[(2,4-dimethylpyrimidine-5-carbonyl)amino]-4-methylpentanoic acid

C13H19N3O3 — CID 120516086

IUPAC2-[(2,4-dimethylpyrimidine-5-carbonyl)amino]-4-methylpentanoic acid
SMILESCc1ncc(C(=O)NC(CC(C)C)C(=O)O)c(C)n1
InChIInChI=1S/C13H19N3O3/c1-7(2)5-11(13(18)19)16-12(17)10-6-14-9(4)15-8(10)3/h6-7,11H,5H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyPJJWAWWLEYJRHL-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.32
Rot. Bonds5

About 2-[(2,4-dimethylpyrimidine-5-carbonyl)amino]-4-methylpentanoic acid

2-[(2,4-dimethylpyrimidine-5-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 120516086) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[(2,4-dimethylpyrimidine-5-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(2,4-dimethylpyrimidine-5-carbonyl)amino]-4-methylpentanoic acid
PubChem CID120516086
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[(2,4-dimethylpyrimidine-5-carbonyl)amino]-4-methylpentanoic acid
SMILESCc1ncc(C(=O)NC(CC(C)C)C(=O)O)c(C)n1
InChIInChI=1S/C13H19N3O3/c1-7(2)5-11(13(18)19)16-12(17)10-6-14-9(4)15-8(10)3/h6-7,11H,5H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyPJJWAWWLEYJRHL-UHFFFAOYSA-N
XLogP1.32
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dichlorophenyl)-2-[(2,4-dimethylpyrimidine-5-carbonyl)amino]propanoic acid
CID 120533063
4-[(2,4-dimethylpyrimidine-5-carbonyl)amino]pentanoic acid
CID 120534940
2,4-dimethyl-N-[(2R)-pentan-2-yl]pyrimidine-5-carboxamide
CID 92648513
(2R)-4-methyl-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
CID 30053503
(2R)-2-[(1,3-dimethylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 96582780
(2S)-4-methyl-2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]pentanoic acid
CID 119361650
(2S)-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 28777199
2-cyclopropyl-2-[(2,4-dimethylpyrimidine-5-carbonyl)amino]acetic acid
CID 120521227
N-[(1R)-1-(4-chlorophenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 92648544
(2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid
CID 119363650
(2R)-2-[(2-chloro-5-fluoropyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 114036625
(2S)-2-[(1-tert-butyl-5-methylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 119361432

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylpyrimidine-5-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of 2-[(2,4-dimethylpyrimidine-5-carbonyl)amino]-4-methylpentanoic acid (CID 120516086) is 2-[(2,4-dimethylpyrimidine-5-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(2,4-dimethylpyrimidine-5-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(2,4-dimethylpyrimidine-5-carbonyl)amino]-4-methylpentanoic acid is Cc1ncc(C(=O)NC(CC(C)C)C(=O)O)c(C)n1.
What is the InChIKey of 2-[(2,4-dimethylpyrimidine-5-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is PJJWAWWLEYJRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-7(2)5-11(13(18)19)16-12(17)10-6-14-9(4)15-8(10)3/h6-7,11H,5H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(2,4-dimethylpyrimidine-5-carbonyl)amino]-4-methylpentanoic acid?
2-[(2,4-dimethylpyrimidine-5-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylpyrimidine-5-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 120516086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).