2-(1-purin-9-ylimidazol-4-yl)ethanamine

C10H11N7 — CID 67607275

IUPAC2-(1-purin-9-ylimidazol-4-yl)ethanamine
SMILESNCCc1cn(-n2cnc3cncnc32)cn1
InChIInChI=1S/C10H11N7/c11-2-1-8-4-16(6-14-8)17-7-15-9-3-12-5-13-10(9)17/h3-7H,1-2,11H2
InChIKeyGVQYDUVJYLSXRQ-UHFFFAOYSA-N
MW229.25 g/mol
LogP-0.16
Rot. Bonds3

About 2-(1-purin-9-ylimidazol-4-yl)ethanamine

2-(1-purin-9-ylimidazol-4-yl)ethanamine (PubChem CID 67607275) has the molecular formula C10H11N7 and a molecular weight of 229.25 g/mol. Its IUPAC name is 2-(1-purin-9-ylimidazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1-purin-9-ylimidazol-4-yl)ethanamine
PubChem CID67607275
Molecular FormulaC10H11N7
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC Name2-(1-purin-9-ylimidazol-4-yl)ethanamine
SMILESNCCc1cn(-n2cnc3cncnc32)cn1
InChIInChI=1S/C10H11N7/c11-2-1-8-4-16(6-14-8)17-7-15-9-3-12-5-13-10(9)17/h3-7H,1-2,11H2
InChIKeyGVQYDUVJYLSXRQ-UHFFFAOYSA-N
XLogP-0.16
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-purin-9-ylimidazol-4-yl)ethanamine?
The IUPAC name of 2-(1-purin-9-ylimidazol-4-yl)ethanamine (CID 67607275) is 2-(1-purin-9-ylimidazol-4-yl)ethanamine.
What is the SMILES notation for 2-(1-purin-9-ylimidazol-4-yl)ethanamine?
The canonical SMILES for 2-(1-purin-9-ylimidazol-4-yl)ethanamine is NCCc1cn(-n2cnc3cncnc32)cn1.
What is the InChIKey of 2-(1-purin-9-ylimidazol-4-yl)ethanamine?
The InChIKey is GVQYDUVJYLSXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7/c11-2-1-8-4-16(6-14-8)17-7-15-9-3-12-5-13-10(9)17/h3-7H,1-2,11H2.
What are the key properties of 2-(1-purin-9-ylimidazol-4-yl)ethanamine?
2-(1-purin-9-ylimidazol-4-yl)ethanamine has a molecular weight of 229.25 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-purin-9-ylimidazol-4-yl)ethanamine is sourced from PubChem (CID 67607275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).