2-amino-9-(2-amino-6-oxo-1H-purin-9-yl)-1,7-dihydropurine-6,8-dione

C10H8N10O3 — CID 136611109

IUPAC2-amino-9-(2-amino-6-oxo-1H-purin-9-yl)-1,7-dihydropurine-6,8-dione
SMILESNc1nc2c(ncn2-n2c(=O)[nH]c3c(=O)[nH]c(N)nc32)c(=O)[nH]1
InChIInChI=1S/C10H8N10O3/c11-8-15-4-2(6(21)17-8)13-1-19(4)20-5-3(14-10(20)23)7(22)18-9(12)16-5/h1H,(H,14,23)(H3,11,15,17,21)(H3,12,16,18,22)
InChIKeyDWOUMLYAKNLHLS-UHFFFAOYSA-N
MW316.24 g/mol
LogP-2.68
Rot. Bonds1

About 2-amino-9-(2-amino-6-oxo-1H-purin-9-yl)-1,7-dihydropurine-6,8-dione

2-amino-9-(2-amino-6-oxo-1H-purin-9-yl)-1,7-dihydropurine-6,8-dione (PubChem CID 136611109) has the molecular formula C10H8N10O3 and a molecular weight of 316.24 g/mol. Its IUPAC name is 2-amino-9-(2-amino-6-oxo-1H-purin-9-yl)-1,7-dihydropurine-6,8-dione.

Molecular Properties

Compound Name2-amino-9-(2-amino-6-oxo-1H-purin-9-yl)-1,7-dihydropurine-6,8-dione
PubChem CID136611109
Molecular FormulaC10H8N10O3
Molecular Weight316.24 g/mol
Exact Mass316.08
IUPAC Name2-amino-9-(2-amino-6-oxo-1H-purin-9-yl)-1,7-dihydropurine-6,8-dione
SMILESNc1nc2c(ncn2-n2c(=O)[nH]c3c(=O)[nH]c(N)nc32)c(=O)[nH]1
InChIInChI=1S/C10H8N10O3/c11-8-15-4-2(6(21)17-8)13-1-19(4)20-5-3(14-10(20)23)7(22)18-9(12)16-5/h1H,(H,14,23)(H3,11,15,17,21)(H3,12,16,18,22)
InChIKeyDWOUMLYAKNLHLS-UHFFFAOYSA-N
XLogP-2.68
TPSA199.15 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 5-2.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-amino-9-(2-amino-6-oxo-1H-purin-9-yl)-1,7-dihydropurine-6,8-dione?
The IUPAC name of 2-amino-9-(2-amino-6-oxo-1H-purin-9-yl)-1,7-dihydropurine-6,8-dione (CID 136611109) is 2-amino-9-(2-amino-6-oxo-1H-purin-9-yl)-1,7-dihydropurine-6,8-dione.
What is the SMILES notation for 2-amino-9-(2-amino-6-oxo-1H-purin-9-yl)-1,7-dihydropurine-6,8-dione?
The canonical SMILES for 2-amino-9-(2-amino-6-oxo-1H-purin-9-yl)-1,7-dihydropurine-6,8-dione is Nc1nc2c(ncn2-n2c(=O)[nH]c3c(=O)[nH]c(N)nc32)c(=O)[nH]1.
What is the InChIKey of 2-amino-9-(2-amino-6-oxo-1H-purin-9-yl)-1,7-dihydropurine-6,8-dione?
The InChIKey is DWOUMLYAKNLHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N10O3/c11-8-15-4-2(6(21)17-8)13-1-19(4)20-5-3(14-10(20)23)7(22)18-9(12)16-5/h1H,(H,14,23)(H3,11,15,17,21)(H3,12,16,18,22).
What are the key properties of 2-amino-9-(2-amino-6-oxo-1H-purin-9-yl)-1,7-dihydropurine-6,8-dione?
2-amino-9-(2-amino-6-oxo-1H-purin-9-yl)-1,7-dihydropurine-6,8-dione has a molecular weight of 316.24 g/mol, XLogP of -2.68, 1 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-(2-amino-6-oxo-1H-purin-9-yl)-1,7-dihydropurine-6,8-dione is sourced from PubChem (CID 136611109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).