4-methyl-2-[methyl-(6-methylpyrimidine-4-carbonyl)amino]pentanoic acid

C13H19N3O3 — CID 110836313

IUPAC4-methyl-2-[methyl-(6-methylpyrimidine-4-carbonyl)amino]pentanoic acid
SMILESCc1cc(C(=O)N(C)C(CC(C)C)C(=O)O)ncn1
InChIInChI=1S/C13H19N3O3/c1-8(2)5-11(13(18)19)16(4)12(17)10-6-9(3)14-7-15-10/h6-8,11H,5H2,1-4H3,(H,18,19)
InChIKeyNGEZCFWIDJYLAV-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.36
Rot. Bonds5

About 4-methyl-2-[methyl-(6-methylpyrimidine-4-carbonyl)amino]pentanoic acid

4-methyl-2-[methyl-(6-methylpyrimidine-4-carbonyl)amino]pentanoic acid (PubChem CID 110836313) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-methyl-2-[methyl-(6-methylpyrimidine-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[methyl-(6-methylpyrimidine-4-carbonyl)amino]pentanoic acid
PubChem CID110836313
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-methyl-2-[methyl-(6-methylpyrimidine-4-carbonyl)amino]pentanoic acid
SMILESCc1cc(C(=O)N(C)C(CC(C)C)C(=O)O)ncn1
InChIInChI=1S/C13H19N3O3/c1-8(2)5-11(13(18)19)16(4)12(17)10-6-9(3)14-7-15-10/h6-8,11H,5H2,1-4H3,(H,18,19)
InChIKeyNGEZCFWIDJYLAV-UHFFFAOYSA-N
XLogP1.36
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[methyl-(5-methyl-1H-pyrazole-3-carbonyl)amino]pentanoic acid
CID 110835292
N-methoxy-N,6-dimethylpyrimidine-4-carboxamide
CID 121395327
(2S)-4-methyl-2-[methyl(1,2-thiazole-5-carbonyl)amino]pentanoic acid
CID 167758483
4-methyl-2-[methyl-(5-methylfuran-2-carbonyl)amino]pentanoic acid
CID 110836764
2-[(4,5-dimethyl-1H-pyrazole-3-carbonyl)-methylamino]-4-methylpentanoic acid
CID 110835312
(2S)-4-methyl-2-[(6-methylpyrimidin-4-yl)amino]pentanoic acid
CID 122050185
2-[methyl-[2-(6-methylpyrimidin-4-yl)oxyacetyl]amino]propanoic acid
CID 110837140
4-(6-methylpyrimidin-4-yl)-4-oxobutanoic acid
CID 82401455
2-[methyl-(2-methyl-1,3-thiazole-4-carbonyl)amino]butanoic acid
CID 65200054
2-[methoxycarbonyl(methyl)amino]-4-methylpentanoic acid
CID 10608215
2-bromo-1-(6-methylpyrimidin-4-yl)ethanone
CID 160890814
2-(6-methylpyrimidin-4-yl)propanoic acid
CID 82597052

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[methyl-(6-methylpyrimidine-4-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[methyl-(6-methylpyrimidine-4-carbonyl)amino]pentanoic acid (CID 110836313) is 4-methyl-2-[methyl-(6-methylpyrimidine-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[methyl-(6-methylpyrimidine-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[methyl-(6-methylpyrimidine-4-carbonyl)amino]pentanoic acid is Cc1cc(C(=O)N(C)C(CC(C)C)C(=O)O)ncn1.
What is the InChIKey of 4-methyl-2-[methyl-(6-methylpyrimidine-4-carbonyl)amino]pentanoic acid?
The InChIKey is NGEZCFWIDJYLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8(2)5-11(13(18)19)16(4)12(17)10-6-9(3)14-7-15-10/h6-8,11H,5H2,1-4H3,(H,18,19).
What are the key properties of 4-methyl-2-[methyl-(6-methylpyrimidine-4-carbonyl)amino]pentanoic acid?
4-methyl-2-[methyl-(6-methylpyrimidine-4-carbonyl)amino]pentanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[methyl-(6-methylpyrimidine-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 110836313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).