2-(6-amino-2-methylpyrimidin-4-yl)butanoic acid

C9H13N3O2 — CID 83857275

IUPAC2-(6-amino-2-methylpyrimidin-4-yl)butanoic acid
SMILESCCC(C(=O)O)c1cc(N)nc(C)n1
InChIInChI=1S/C9H13N3O2/c1-3-6(9(13)14)7-4-8(10)12-5(2)11-7/h4,6H,3H2,1-2H3,(H,13,14)(H2,10,11,12)
InChIKeyFKVAAXSPSHAGJP-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.95
Rot. Bonds3

About 2-(6-amino-2-methylpyrimidin-4-yl)butanoic acid

2-(6-amino-2-methylpyrimidin-4-yl)butanoic acid (PubChem CID 83857275) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(6-amino-2-methylpyrimidin-4-yl)butanoic acid.

Molecular Properties

Compound Name2-(6-amino-2-methylpyrimidin-4-yl)butanoic acid
PubChem CID83857275
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-(6-amino-2-methylpyrimidin-4-yl)butanoic acid
SMILESCCC(C(=O)O)c1cc(N)nc(C)n1
InChIInChI=1S/C9H13N3O2/c1-3-6(9(13)14)7-4-8(10)12-5(2)11-7/h4,6H,3H2,1-2H3,(H,13,14)(H2,10,11,12)
InChIKeyFKVAAXSPSHAGJP-UHFFFAOYSA-N
XLogP0.95
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(6-amino-2-methylpyrimidin-4-yl)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-amino-2-pyridinyl)butanoic acid
CID 67099005
2-(3-amino-4-methylphenyl)butanoic acid
CID 130134794
2-(5-methylpyrazin-2-yl)butanoic acid
CID 82409079
2-(4-methyl-1,3-thiazol-2-yl)butanoic acid
CID 66752054
(2S)-2-(3-amino-5-methylpyrazol-1-yl)butanoic acid
CID 124709590
2-(3-aminonaphthalen-1-yl)butanoic acid
CID 67115585
2-(4-bromo-3,5-dimethylphenyl)butanoic acid
CID 84809315
2-(6-amino-2-methylpyrimidin-4-yl)ethanol
CID 83857310
2-[(6-amino-2-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide
CID 80793217
2-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]butanoic acid
CID 116896338
2-[(6-amino-2-methylpyrimidin-4-yl)amino]propanamide
CID 80788207
ethyl (2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanylbutanoate
CID 864590

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-2-methylpyrimidin-4-yl)butanoic acid?
The IUPAC name of 2-(6-amino-2-methylpyrimidin-4-yl)butanoic acid (CID 83857275) is 2-(6-amino-2-methylpyrimidin-4-yl)butanoic acid.
What is the SMILES notation for 2-(6-amino-2-methylpyrimidin-4-yl)butanoic acid?
The canonical SMILES for 2-(6-amino-2-methylpyrimidin-4-yl)butanoic acid is CCC(C(=O)O)c1cc(N)nc(C)n1.
What is the InChIKey of 2-(6-amino-2-methylpyrimidin-4-yl)butanoic acid?
The InChIKey is FKVAAXSPSHAGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-3-6(9(13)14)7-4-8(10)12-5(2)11-7/h4,6H,3H2,1-2H3,(H,13,14)(H2,10,11,12).
What are the key properties of 2-(6-amino-2-methylpyrimidin-4-yl)butanoic acid?
2-(6-amino-2-methylpyrimidin-4-yl)butanoic acid has a molecular weight of 195.22 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-2-methylpyrimidin-4-yl)butanoic acid is sourced from PubChem (CID 83857275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).