6-amino-9-(6-amino-2-oxo-1H-purin-9-yl)-7H-purin-8-one

C10H8N10O2 — CID 90853370

IUPAC6-amino-9-(6-amino-2-oxo-1H-purin-9-yl)-7H-purin-8-one
SMILESNc1[nH]c(=O)nc2c1ncn2-n1c(=O)[nH]c2c(N)ncnc21
InChIInChI=1S/C10H8N10O2/c11-5-4-7(14-1-13-5)20(10(22)16-4)19-2-15-3-6(12)17-9(21)18-8(3)19/h1-2H,(H,16,22)(H2,11,13,14)(H3,12,17,18,21)
InChIKeyHCFWYCBLRREDAZ-UHFFFAOYSA-N
MW300.24 g/mol
LogP-1.97
Rot. Bonds1

About 6-amino-9-(6-amino-2-oxo-1H-purin-9-yl)-7H-purin-8-one

6-amino-9-(6-amino-2-oxo-1H-purin-9-yl)-7H-purin-8-one (PubChem CID 90853370) has the molecular formula C10H8N10O2 and a molecular weight of 300.24 g/mol. Its IUPAC name is 6-amino-9-(6-amino-2-oxo-1H-purin-9-yl)-7H-purin-8-one.

Molecular Properties

Compound Name6-amino-9-(6-amino-2-oxo-1H-purin-9-yl)-7H-purin-8-one
PubChem CID90853370
Molecular FormulaC10H8N10O2
Molecular Weight300.24 g/mol
Exact Mass300.08
IUPAC Name6-amino-9-(6-amino-2-oxo-1H-purin-9-yl)-7H-purin-8-one
SMILESNc1[nH]c(=O)nc2c1ncn2-n1c(=O)[nH]c2c(N)ncnc21
InChIInChI=1S/C10H8N10O2/c11-5-4-7(14-1-13-5)20(10(22)16-4)19-2-15-3-6(12)17-9(21)18-8(3)19/h1-2H,(H,16,22)(H2,11,13,14)(H3,12,17,18,21)
InChIKeyHCFWYCBLRREDAZ-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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Related Compounds

8-Hydroxyadenine
CID 5355054
8,8'-Dioxo-6,6'-azopurine
CID 100423
8,8'-Dioxo-6,6'-azopurine hydrate
CID 3045015
6-Amino-9-methyl-8-oxopurine
CID 11062737
Qwfdmuuitaciqd-uhfffaoysa-
CID 11694067
6-amino-9-(6-aminopurin-9-yl)-1H-purin-2-one
CID 91121726
6-Amino-9-(6-aminopurin-9-yl)-1,7-dihydropurine-2,8-dione
CID 91589135
9-Amino-6-chloropurin-8-ol
CID 119096662
6-amino-9-(6-amino-8-oxo-7H-purin-9-yl)-7H-purin-8-one
CID 123506419
7,8-Dihydroxyadenine
CID 129696735
2-amino-9-(6-amino-8-oxo-7H-purin-9-yl)-1,7-dihydropurine-6,8-dione
CID 136493782
6-Amino-7,9-dimethylpurin-8-one
CID 10654929

Frequently Asked Questions

What is the IUPAC name of 6-amino-9-(6-amino-2-oxo-1H-purin-9-yl)-7H-purin-8-one?
The IUPAC name of 6-amino-9-(6-amino-2-oxo-1H-purin-9-yl)-7H-purin-8-one (CID 90853370) is 6-amino-9-(6-amino-2-oxo-1H-purin-9-yl)-7H-purin-8-one.
What is the SMILES notation for 6-amino-9-(6-amino-2-oxo-1H-purin-9-yl)-7H-purin-8-one?
The canonical SMILES for 6-amino-9-(6-amino-2-oxo-1H-purin-9-yl)-7H-purin-8-one is Nc1[nH]c(=O)nc2c1ncn2-n1c(=O)[nH]c2c(N)ncnc21.
What is the InChIKey of 6-amino-9-(6-amino-2-oxo-1H-purin-9-yl)-7H-purin-8-one?
The InChIKey is HCFWYCBLRREDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N10O2/c11-5-4-7(14-1-13-5)20(10(22)16-4)19-2-15-3-6(12)17-9(21)18-8(3)19/h1-2H,(H,16,22)(H2,11,13,14)(H3,12,17,18,21).
What are the key properties of 6-amino-9-(6-amino-2-oxo-1H-purin-9-yl)-7H-purin-8-one?
6-amino-9-(6-amino-2-oxo-1H-purin-9-yl)-7H-purin-8-one 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-amino-2-oxo-1H-purin-9-yl)-7H-purin-8-one is sourced from PubChem (CID 90853370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).