2-amino-7-[2-(2-amino-6-oxo-1H-purin-7-yl)ethyl]-1H-purin-6-one

C12H12N10O2 — CID 135625281

IUPAC2-amino-7-[2-(2-amino-6-oxo-1H-purin-7-yl)ethyl]-1H-purin-6-one
SMILESNc1nc2ncn(CCn3cnc4nc(N)[nH]c(=O)c43)c2c(=O)[nH]1
InChIInChI=1S/C12H12N10O2/c13-11-17-7-5(9(23)19-11)21(3-15-7)1-2-22-4-16-8-6(22)10(24)20-12(14)18-8/h3-4H,1-2H2,(H3,13,17,19,23)(H3,14,18,20,24)
InChIKeyGBXKEXOJSKEPTK-UHFFFAOYSA-N
MW328.30 g/mol
LogP-1.58
Rot. Bonds3

About 2-amino-7-[2-(2-amino-6-oxo-1H-purin-7-yl)ethyl]-1H-purin-6-one

2-amino-7-[2-(2-amino-6-oxo-1H-purin-7-yl)ethyl]-1H-purin-6-one (PubChem CID 135625281) has the molecular formula C12H12N10O2 and a molecular weight of 328.30 g/mol. Its IUPAC name is 2-amino-7-[2-(2-amino-6-oxo-1H-purin-7-yl)ethyl]-1H-purin-6-one.

Molecular Properties

Compound Name2-amino-7-[2-(2-amino-6-oxo-1H-purin-7-yl)ethyl]-1H-purin-6-one
PubChem CID135625281
Molecular FormulaC12H12N10O2
Molecular Weight328.30 g/mol
Exact Mass328.11
IUPAC Name2-amino-7-[2-(2-amino-6-oxo-1H-purin-7-yl)ethyl]-1H-purin-6-one
SMILESNc1nc2ncn(CCn3cnc4nc(N)[nH]c(=O)c43)c2c(=O)[nH]1
InChIInChI=1S/C12H12N10O2/c13-11-17-7-5(9(23)19-11)21(3-15-7)1-2-22-4-16-8-6(22)10(24)20-12(14)18-8/h3-4H,1-2H2,(H3,13,17,19,23)(H3,14,18,20,24)
InChIKeyGBXKEXOJSKEPTK-UHFFFAOYSA-N
XLogP-1.58
TPSA179.18 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 5-1.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[2-(2-amino-6-oxo-1H-purin-7-yl)ethyl]-1H-purin-6-one?
The IUPAC name of 2-amino-7-[2-(2-amino-6-oxo-1H-purin-7-yl)ethyl]-1H-purin-6-one (CID 135625281) is 2-amino-7-[2-(2-amino-6-oxo-1H-purin-7-yl)ethyl]-1H-purin-6-one.
What is the SMILES notation for 2-amino-7-[2-(2-amino-6-oxo-1H-purin-7-yl)ethyl]-1H-purin-6-one?
The canonical SMILES for 2-amino-7-[2-(2-amino-6-oxo-1H-purin-7-yl)ethyl]-1H-purin-6-one is Nc1nc2ncn(CCn3cnc4nc(N)[nH]c(=O)c43)c2c(=O)[nH]1.
What is the InChIKey of 2-amino-7-[2-(2-amino-6-oxo-1H-purin-7-yl)ethyl]-1H-purin-6-one?
The InChIKey is GBXKEXOJSKEPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N10O2/c13-11-17-7-5(9(23)19-11)21(3-15-7)1-2-22-4-16-8-6(22)10(24)20-12(14)18-8/h3-4H,1-2H2,(H3,13,17,19,23)(H3,14,18,20,24).
What are the key properties of 2-amino-7-[2-(2-amino-6-oxo-1H-purin-7-yl)ethyl]-1H-purin-6-one?
2-amino-7-[2-(2-amino-6-oxo-1H-purin-7-yl)ethyl]-1H-purin-6-one has a molecular weight of 328.30 g/mol, XLogP of -1.58, 3 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[2-(2-amino-6-oxo-1H-purin-7-yl)ethyl]-1H-purin-6-one is sourced from PubChem (CID 135625281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).