2-[5-(2-aminopyrimidin-5-yl)tetrazol-2-yl]butanoic acid

C9H11N7O2 — CID 67016415

IUPAC2-[5-(2-aminopyrimidin-5-yl)tetrazol-2-yl]butanoic acid
SMILESCCC(C(=O)O)n1nnc(-c2cnc(N)nc2)n1
InChIInChI=1S/C9H11N7O2/c1-2-6(8(17)18)16-14-7(13-15-16)5-3-11-9(10)12-4-5/h3-4,6H,2H2,1H3,(H,17,18)(H2,10,11,12)
InChIKeyOVOKPESYZGXDBH-UHFFFAOYSA-N
MW249.23 g/mol
LogP-0.25
Rot. Bonds4

About 2-[5-(2-aminopyrimidin-5-yl)tetrazol-2-yl]butanoic acid

2-[5-(2-aminopyrimidin-5-yl)tetrazol-2-yl]butanoic acid (PubChem CID 67016415) has the molecular formula C9H11N7O2 and a molecular weight of 249.23 g/mol. Its IUPAC name is 2-[5-(2-aminopyrimidin-5-yl)tetrazol-2-yl]butanoic acid.

Molecular Properties

Compound Name2-[5-(2-aminopyrimidin-5-yl)tetrazol-2-yl]butanoic acid
PubChem CID67016415
Molecular FormulaC9H11N7O2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC Name2-[5-(2-aminopyrimidin-5-yl)tetrazol-2-yl]butanoic acid
SMILESCCC(C(=O)O)n1nnc(-c2cnc(N)nc2)n1
InChIInChI=1S/C9H11N7O2/c1-2-6(8(17)18)16-14-7(13-15-16)5-3-11-9(10)12-4-5/h3-4,6H,2H2,1H3,(H,17,18)(H2,10,11,12)
InChIKeyOVOKPESYZGXDBH-UHFFFAOYSA-N
XLogP-0.25
TPSA132.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-aminopyrimidin-5-yl)tetrazol-2-yl]butanoic acid?
The IUPAC name of 2-[5-(2-aminopyrimidin-5-yl)tetrazol-2-yl]butanoic acid (CID 67016415) is 2-[5-(2-aminopyrimidin-5-yl)tetrazol-2-yl]butanoic acid.
What is the SMILES notation for 2-[5-(2-aminopyrimidin-5-yl)tetrazol-2-yl]butanoic acid?
The canonical SMILES for 2-[5-(2-aminopyrimidin-5-yl)tetrazol-2-yl]butanoic acid is CCC(C(=O)O)n1nnc(-c2cnc(N)nc2)n1.
What is the InChIKey of 2-[5-(2-aminopyrimidin-5-yl)tetrazol-2-yl]butanoic acid?
The InChIKey is OVOKPESYZGXDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N7O2/c1-2-6(8(17)18)16-14-7(13-15-16)5-3-11-9(10)12-4-5/h3-4,6H,2H2,1H3,(H,17,18)(H2,10,11,12).
What are the key properties of 2-[5-(2-aminopyrimidin-5-yl)tetrazol-2-yl]butanoic acid?
2-[5-(2-aminopyrimidin-5-yl)tetrazol-2-yl]butanoic acid has a molecular weight of 249.23 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-aminopyrimidin-5-yl)tetrazol-2-yl]butanoic acid is sourced from PubChem (CID 67016415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).