2-amino-5-(4-amino-2H-pyrimidin-1-yl)pentanoic acid

C9H16N4O2 — CID 22326394

IUPAC2-amino-5-(4-amino-2H-pyrimidin-1-yl)pentanoic acid
SMILESNC1=NCN(CCCC(N)C(=O)O)C=C1
InChIInChI=1S/C9H16N4O2/c10-7(9(14)15)2-1-4-13-5-3-8(11)12-6-13/h3,5,7H,1-2,4,6,10H2,(H2,11,12)(H,14,15)
InChIKeySUZOOZDRTKAOQM-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.68
Rot. Bonds5

About 2-amino-5-(4-amino-2H-pyrimidin-1-yl)pentanoic acid

2-amino-5-(4-amino-2H-pyrimidin-1-yl)pentanoic acid (PubChem CID 22326394) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-amino-5-(4-amino-2H-pyrimidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-amino-5-(4-amino-2H-pyrimidin-1-yl)pentanoic acid
PubChem CID22326394
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name2-amino-5-(4-amino-2H-pyrimidin-1-yl)pentanoic acid
SMILESNC1=NCN(CCCC(N)C(=O)O)C=C1
InChIInChI=1S/C9H16N4O2/c10-7(9(14)15)2-1-4-13-5-3-8(11)12-6-13/h3,5,7H,1-2,4,6,10H2,(H2,11,12)(H,14,15)
InChIKeySUZOOZDRTKAOQM-UHFFFAOYSA-N
XLogP-0.68
TPSA104.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-amino-5-(4-amino-2H-pyrimidin-1-yl)pentanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-amino-2H-pyrimidin-1-yl)pentanoic acid?
The IUPAC name of 2-amino-5-(4-amino-2H-pyrimidin-1-yl)pentanoic acid (CID 22326394) is 2-amino-5-(4-amino-2H-pyrimidin-1-yl)pentanoic acid.
What is the SMILES notation for 2-amino-5-(4-amino-2H-pyrimidin-1-yl)pentanoic acid?
The canonical SMILES for 2-amino-5-(4-amino-2H-pyrimidin-1-yl)pentanoic acid is NC1=NCN(CCCC(N)C(=O)O)C=C1.
What is the InChIKey of 2-amino-5-(4-amino-2H-pyrimidin-1-yl)pentanoic acid?
The InChIKey is SUZOOZDRTKAOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c10-7(9(14)15)2-1-4-13-5-3-8(11)12-6-13/h3,5,7H,1-2,4,6,10H2,(H2,11,12)(H,14,15).
What are the key properties of 2-amino-5-(4-amino-2H-pyrimidin-1-yl)pentanoic acid?
2-amino-5-(4-amino-2H-pyrimidin-1-yl)pentanoic acid has a molecular weight of 212.25 g/mol, XLogP of -0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-amino-2H-pyrimidin-1-yl)pentanoic acid is sourced from PubChem (CID 22326394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).