6-amino-9-(6-aminopurin-9-yl)-1,7-dihydropurine-2,8-dione

C10H8N10O2 — CID 91589135

IUPAC6-amino-9-(6-aminopurin-9-yl)-1,7-dihydropurine-2,8-dione
SMILESNc1ncnc2c1ncn2-n1c(=O)[nH]c2c(N)[nH]c(=O)nc21
InChIInChI=1S/C10H8N10O2/c11-5-3-7(14-1-13-5)19(2-15-3)20-8-4(16-10(20)22)6(12)17-9(21)18-8/h1-2H,(H,16,22)(H2,11,13,14)(H3,12,17,18,21)
InChIKeyKWVWHKQVIHCHTA-UHFFFAOYSA-N
MW300.24 g/mol
LogP-1.97
Rot. Bonds1

About 6-amino-9-(6-aminopurin-9-yl)-1,7-dihydropurine-2,8-dione

6-amino-9-(6-aminopurin-9-yl)-1,7-dihydropurine-2,8-dione (PubChem CID 91589135) has the molecular formula C10H8N10O2 and a molecular weight of 300.24 g/mol. Its IUPAC name is 6-amino-9-(6-aminopurin-9-yl)-1,7-dihydropurine-2,8-dione.

Molecular Properties

Compound Name6-amino-9-(6-aminopurin-9-yl)-1,7-dihydropurine-2,8-dione
PubChem CID91589135
Molecular FormulaC10H8N10O2
Molecular Weight300.24 g/mol
Exact Mass300.08
IUPAC Name6-amino-9-(6-aminopurin-9-yl)-1,7-dihydropurine-2,8-dione
SMILESNc1ncnc2c1ncn2-n1c(=O)[nH]c2c(N)[nH]c(=O)nc21
InChIInChI=1S/C10H8N10O2/c11-5-3-7(14-1-13-5)19(2-15-3)20-8-4(16-10(20)22)6(12)17-9(21)18-8/h1-2H,(H,16,22)(H2,11,13,14)(H3,12,17,18,21)
InChIKeyKWVWHKQVIHCHTA-UHFFFAOYSA-N
XLogP-1.97
TPSA179.18 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 5-1.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-amino-9-(6-aminopurin-9-yl)-1,7-dihydropurine-2,8-dione?
The IUPAC name of 6-amino-9-(6-aminopurin-9-yl)-1,7-dihydropurine-2,8-dione (CID 91589135) is 6-amino-9-(6-aminopurin-9-yl)-1,7-dihydropurine-2,8-dione.
What is the SMILES notation for 6-amino-9-(6-aminopurin-9-yl)-1,7-dihydropurine-2,8-dione?
The canonical SMILES for 6-amino-9-(6-aminopurin-9-yl)-1,7-dihydropurine-2,8-dione is Nc1ncnc2c1ncn2-n1c(=O)[nH]c2c(N)[nH]c(=O)nc21.
What is the InChIKey of 6-amino-9-(6-aminopurin-9-yl)-1,7-dihydropurine-2,8-dione?
The InChIKey is KWVWHKQVIHCHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N10O2/c11-5-3-7(14-1-13-5)19(2-15-3)20-8-4(16-10(20)22)6(12)17-9(21)18-8/h1-2H,(H,16,22)(H2,11,13,14)(H3,12,17,18,21).
What are the key properties of 6-amino-9-(6-aminopurin-9-yl)-1,7-dihydropurine-2,8-dione?
6-amino-9-(6-aminopurin-9-yl)-1,7-dihydropurine-2,8-dione has a molecular weight of 300.24 g/mol, XLogP of -1.97, 1 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-9-(6-aminopurin-9-yl)-1,7-dihydropurine-2,8-dione is sourced from PubChem (CID 91589135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).