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

C8H12N4O2 — CID 83857232

IUPAC4-amino-2-(6-aminopyrimidin-4-yl)butanoic acid
SMILESNCCC(C(=O)O)c1cc(N)ncn1
InChIInChI=1S/C8H12N4O2/c9-2-1-5(8(13)14)6-3-7(10)12-4-11-6/h3-5H,1-2,9H2,(H,13,14)(H2,10,11,12)
InChIKeyGHWMLQZQDUGRMA-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.42
Rot. Bonds4

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

4-amino-2-(6-aminopyrimidin-4-yl)butanoic acid (PubChem CID 83857232) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 4-amino-2-(6-aminopyrimidin-4-yl)butanoic acid.

Molecular Properties

Compound Name4-amino-2-(6-aminopyrimidin-4-yl)butanoic acid
PubChem CID83857232
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name4-amino-2-(6-aminopyrimidin-4-yl)butanoic acid
SMILESNCCC(C(=O)O)c1cc(N)ncn1
InChIInChI=1S/C8H12N4O2/c9-2-1-5(8(13)14)6-3-7(10)12-4-11-6/h3-5H,1-2,9H2,(H,13,14)(H2,10,11,12)
InChIKeyGHWMLQZQDUGRMA-UHFFFAOYSA-N
XLogP-0.42
TPSA115.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(6-aminopyrimidin-4-yl)butanoic acid?
The IUPAC name of 4-amino-2-(6-aminopyrimidin-4-yl)butanoic acid (CID 83857232) is 4-amino-2-(6-aminopyrimidin-4-yl)butanoic acid.
What is the SMILES notation for 4-amino-2-(6-aminopyrimidin-4-yl)butanoic acid?
The canonical SMILES for 4-amino-2-(6-aminopyrimidin-4-yl)butanoic acid is NCCC(C(=O)O)c1cc(N)ncn1.
What is the InChIKey of 4-amino-2-(6-aminopyrimidin-4-yl)butanoic acid?
The InChIKey is GHWMLQZQDUGRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c9-2-1-5(8(13)14)6-3-7(10)12-4-11-6/h3-5H,1-2,9H2,(H,13,14)(H2,10,11,12).
What are the key properties of 4-amino-2-(6-aminopyrimidin-4-yl)butanoic acid?
4-amino-2-(6-aminopyrimidin-4-yl)butanoic acid has a molecular weight of 196.21 g/mol, XLogP of -0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(6-aminopyrimidin-4-yl)butanoic acid is sourced from PubChem (CID 83857232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).