6-(1H-imidazol-2-yl)-7H-purin-2-amine

C8H7N7 — CID 69250570

IUPAC6-(1H-imidazol-2-yl)-7H-purin-2-amine
SMILESNc1nc(-c2ncc[nH]2)c2[nH]cnc2n1
InChIInChI=1S/C8H7N7/c9-8-14-5(6-10-1-2-11-6)4-7(15-8)13-3-12-4/h1-3H,(H,10,11)(H3,9,12,13,14,15)
InChIKeyBBBZTJXCDLQFBB-UHFFFAOYSA-N
MW201.19 g/mol
LogP0.33
Rot. Bonds1

About 6-(1H-imidazol-2-yl)-7H-purin-2-amine

6-(1H-imidazol-2-yl)-7H-purin-2-amine (PubChem CID 69250570) has the molecular formula C8H7N7 and a molecular weight of 201.19 g/mol. Its IUPAC name is 6-(1H-imidazol-2-yl)-7H-purin-2-amine.

Molecular Properties

Compound Name6-(1H-imidazol-2-yl)-7H-purin-2-amine
PubChem CID69250570
Molecular FormulaC8H7N7
Molecular Weight201.19 g/mol
Exact Mass201.08
IUPAC Name6-(1H-imidazol-2-yl)-7H-purin-2-amine
SMILESNc1nc(-c2ncc[nH]2)c2[nH]cnc2n1
InChIInChI=1S/C8H7N7/c9-8-14-5(6-10-1-2-11-6)4-7(15-8)13-3-12-4/h1-3H,(H,10,11)(H3,9,12,13,14,15)
InChIKeyBBBZTJXCDLQFBB-UHFFFAOYSA-N
XLogP0.33
TPSA109.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-imidazol-2-yl)-7H-purin-2-amine?
The IUPAC name of 6-(1H-imidazol-2-yl)-7H-purin-2-amine (CID 69250570) is 6-(1H-imidazol-2-yl)-7H-purin-2-amine.
What is the SMILES notation for 6-(1H-imidazol-2-yl)-7H-purin-2-amine?
The canonical SMILES for 6-(1H-imidazol-2-yl)-7H-purin-2-amine is Nc1nc(-c2ncc[nH]2)c2[nH]cnc2n1.
What is the InChIKey of 6-(1H-imidazol-2-yl)-7H-purin-2-amine?
The InChIKey is BBBZTJXCDLQFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N7/c9-8-14-5(6-10-1-2-11-6)4-7(15-8)13-3-12-4/h1-3H,(H,10,11)(H3,9,12,13,14,15).
What are the key properties of 6-(1H-imidazol-2-yl)-7H-purin-2-amine?
6-(1H-imidazol-2-yl)-7H-purin-2-amine has a molecular weight of 201.19 g/mol, XLogP of 0.33, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-imidazol-2-yl)-7H-purin-2-amine is sourced from PubChem (CID 69250570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).