4-amino-2-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid

C8H12N4O3 — CID 83857337

IUPAC4-amino-2-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid
SMILESNCCC(C(=O)O)c1cc(N)nc(=O)[nH]1
InChIInChI=1S/C8H12N4O3/c9-2-1-4(7(13)14)5-3-6(10)12-8(15)11-5/h3-4H,1-2,9H2,(H,13,14)(H3,10,11,12,15)
InChIKeySXBKWSFKZMYKQA-UHFFFAOYSA-N
MW212.21 g/mol
LogP-1.13
Rot. Bonds4

About 4-amino-2-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid

4-amino-2-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid (PubChem CID 83857337) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 4-amino-2-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid.

Molecular Properties

Compound Name4-amino-2-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid
PubChem CID83857337
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name4-amino-2-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid
SMILESNCCC(C(=O)O)c1cc(N)nc(=O)[nH]1
InChIInChI=1S/C8H12N4O3/c9-2-1-4(7(13)14)5-3-6(10)12-8(15)11-5/h3-4H,1-2,9H2,(H,13,14)(H3,10,11,12,15)
InChIKeySXBKWSFKZMYKQA-UHFFFAOYSA-N
XLogP-1.13
TPSA135.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-1.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-amino-2-(4-amino-2-oxo-1H-pyrimidin-6-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

3-(4-amino-2-oxo-1H-pyrimidin-6-yl)propanoic acid
CID 83857320
2-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid
CID 83857328
1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclopropane-1-carboxylic acid
CID 83857331
2-(4-amino-2-oxo-1H-pyrimidin-6-yl)-3-methylbutanoic acid
CID 83857335
3-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid
CID 83857354
3-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid
CID 83857355
3-(4-amino-2-oxo-1H-pyrimidin-6-yl)-3-methylbutanoic acid
CID 83857356
3-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2,2-dimethylpropanoic acid
CID 83857357
4-(4-amino-2-oxo-1H-pyrimidin-6-yl)piperidine-4-carboxylic acid
CID 83870234

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid?
The IUPAC name of 4-amino-2-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid (CID 83857337) is 4-amino-2-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid.
What is the SMILES notation for 4-amino-2-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid?
The canonical SMILES for 4-amino-2-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid is NCCC(C(=O)O)c1cc(N)nc(=O)[nH]1.
What is the InChIKey of 4-amino-2-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid?
The InChIKey is SXBKWSFKZMYKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c9-2-1-4(7(13)14)5-3-6(10)12-8(15)11-5/h3-4H,1-2,9H2,(H,13,14)(H3,10,11,12,15).
What are the key properties of 4-amino-2-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid?
4-amino-2-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid has a molecular weight of 212.21 g/mol, XLogP of -1.13, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid is sourced from PubChem (CID 83857337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).