2-[methyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]butanoic acid

C13H21N3O2 — CID 113491416

IUPAC2-[methyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]butanoic acid
SMILESCCC(C(=O)O)N(C)c1nc(C)cc(C(C)C)n1
InChIInChI=1S/C13H21N3O2/c1-6-11(12(17)18)16(5)13-14-9(4)7-10(15-13)8(2)3/h7-8,11H,6H2,1-5H3,(H,17,18)
InChIKeyABKGJFKYBCLVPE-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.21
Rot. Bonds5

About 2-[methyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]butanoic acid

2-[methyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]butanoic acid (PubChem CID 113491416) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[methyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name2-[methyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]butanoic acid
PubChem CID113491416
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-[methyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]butanoic acid
SMILESCCC(C(=O)O)N(C)c1nc(C)cc(C(C)C)n1
InChIInChI=1S/C13H21N3O2/c1-6-11(12(17)18)16(5)13-14-9(4)7-10(15-13)8(2)3/h7-8,11H,6H2,1-5H3,(H,17,18)
InChIKeyABKGJFKYBCLVPE-UHFFFAOYSA-N
XLogP2.21
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-cyano-6-methylpyrimidin-2-yl)-methylamino]butanoic acid
CID 107542920
6-methyl-2-[methyl(pentan-3-yl)amino]pyrimidine-4-carboxylic acid
CID 107553644
N-(1-chloropropan-2-yl)-N,4,6-trimethylpyrimidin-2-amine
CID 104555420
2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]butanoic acid
CID 82892879
2-(N-methyl-4-propan-2-ylanilino)butanoic acid
CID 133150282
2,2-dimethyl-3-(4-methyl-6-propan-2-ylpyrimidin-2-yl)propanoic acid
CID 116894263
2-[(4-cyano-6-methylpyrimidin-2-yl)-methylamino]propanoic acid
CID 107542940
2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxyacetic acid
CID 114335295
2-(N,2-dimethylanilino)butanoic acid
CID 133150219
(3S,4S)-4-methyl-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 114085569
2-[cyclobutyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]ethanol
CID 102868924
2-[methyl-(6-propan-2-yloxypyrimidin-4-yl)amino]butanoic acid
CID 66333429

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]butanoic acid?
The IUPAC name of 2-[methyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]butanoic acid (CID 113491416) is 2-[methyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]butanoic acid.
What is the SMILES notation for 2-[methyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]butanoic acid?
The canonical SMILES for 2-[methyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]butanoic acid is CCC(C(=O)O)N(C)c1nc(C)cc(C(C)C)n1.
What is the InChIKey of 2-[methyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]butanoic acid?
The InChIKey is ABKGJFKYBCLVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-6-11(12(17)18)16(5)13-14-9(4)7-10(15-13)8(2)3/h7-8,11H,6H2,1-5H3,(H,17,18).
What are the key properties of 2-[methyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]butanoic acid?
2-[methyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]butanoic acid has a molecular weight of 251.33 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]butanoic acid is sourced from PubChem (CID 113491416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).