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

C12H17N3O3 — CID 120534940

IUPAC4-[(2,4-dimethylpyrimidine-5-carbonyl)amino]pentanoic acid
SMILESCc1ncc(C(=O)NC(C)CCC(=O)O)c(C)n1
InChIInChI=1S/C12H17N3O3/c1-7(4-5-11(16)17)14-12(18)10-6-13-9(3)15-8(10)2/h6-7H,4-5H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyKVTDFJVJJOSBOK-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.08
Rot. Bonds5

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

4-[(2,4-dimethylpyrimidine-5-carbonyl)amino]pentanoic acid (PubChem CID 120534940) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-[(2,4-dimethylpyrimidine-5-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-[(2,4-dimethylpyrimidine-5-carbonyl)amino]pentanoic acid
PubChem CID120534940
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name4-[(2,4-dimethylpyrimidine-5-carbonyl)amino]pentanoic acid
SMILESCc1ncc(C(=O)NC(C)CCC(=O)O)c(C)n1
InChIInChI=1S/C12H17N3O3/c1-7(4-5-11(16)17)14-12(18)10-6-13-9(3)15-8(10)2/h6-7H,4-5H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyKVTDFJVJJOSBOK-UHFFFAOYSA-N
XLogP1.08
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-N-[(2R)-pentan-2-yl]pyrimidine-5-carboxamide
CID 92648513
2-[(2,4-dimethylpyrimidine-5-carbonyl)amino]-4-methylpentanoic acid
CID 120516086
N-benzhydryl-2,4-dimethylpyrimidine-5-carboxamide
CID 92648536
N-[(1R)-1-(4-chlorophenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 92648544
N-(2-hydroxy-1-phenylethyl)-2,4-dimethylpyrimidine-5-carboxamide
CID 110001315
5-[(2,6-dimethylpyridine-3-carbonyl)amino]hexanoic acid
CID 82855283
2-cyclopropyl-2-[(2,4-dimethylpyrimidine-5-carbonyl)amino]acetic acid
CID 120521227
2,4-dimethylpyrimidine-5-carboxylic acid
CID 6487595
4-[(3-hydroxypyridine-4-carbonyl)amino]pentanoic acid
CID 81445787
4-methyl-N-(4-phenylbutan-2-yl)-2-propan-2-ylpyrimidine-5-carboxamide
CID 53034177
4-[(2-methoxy-6-methylpyridine-3-carbonyl)amino]pentanoic acid
CID 120534735
3-(3,5-dichlorophenyl)-2-[(2,4-dimethylpyrimidine-5-carbonyl)amino]propanoic acid
CID 120533063

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethylpyrimidine-5-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-[(2,4-dimethylpyrimidine-5-carbonyl)amino]pentanoic acid (CID 120534940) is 4-[(2,4-dimethylpyrimidine-5-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-[(2,4-dimethylpyrimidine-5-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-[(2,4-dimethylpyrimidine-5-carbonyl)amino]pentanoic acid is Cc1ncc(C(=O)NC(C)CCC(=O)O)c(C)n1.
What is the InChIKey of 4-[(2,4-dimethylpyrimidine-5-carbonyl)amino]pentanoic acid?
The InChIKey is KVTDFJVJJOSBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-7(4-5-11(16)17)14-12(18)10-6-13-9(3)15-8(10)2/h6-7H,4-5H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 4-[(2,4-dimethylpyrimidine-5-carbonyl)amino]pentanoic acid?
4-[(2,4-dimethylpyrimidine-5-carbonyl)amino]pentanoic acid has a molecular weight of 251.29 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethylpyrimidine-5-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 120534940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).