6-amino-9-(6-aminopurin-9-yl)-1H-purin-2-one

C10H8N10O — CID 91121726

IUPAC6-amino-9-(6-aminopurin-9-yl)-1H-purin-2-one
SMILESNc1ncnc2c1ncn2-n1cnc2c(N)[nH]c(=O)nc21
InChIInChI=1S/C10H8N10O/c11-6-4-8(14-1-13-6)19(2-15-4)20-3-16-5-7(12)17-10(21)18-9(5)20/h1-3H,(H2,11,13,14)(H3,12,17,18,21)
InChIKeyWKWUBWNUOUVYIH-UHFFFAOYSA-N
MW284.24 g/mol
LogP-1.26
Rot. Bonds1

About 6-amino-9-(6-aminopurin-9-yl)-1H-purin-2-one

6-amino-9-(6-aminopurin-9-yl)-1H-purin-2-one (PubChem CID 91121726) has the molecular formula C10H8N10O and a molecular weight of 284.24 g/mol. Its IUPAC name is 6-amino-9-(6-aminopurin-9-yl)-1H-purin-2-one.

Molecular Properties

Compound Name6-amino-9-(6-aminopurin-9-yl)-1H-purin-2-one
PubChem CID91121726
Molecular FormulaC10H8N10O
Molecular Weight284.24 g/mol
Exact Mass284.09
IUPAC Name6-amino-9-(6-aminopurin-9-yl)-1H-purin-2-one
SMILESNc1ncnc2c1ncn2-n1cnc2c(N)[nH]c(=O)nc21
InChIInChI=1S/C10H8N10O/c11-6-4-8(14-1-13-6)19(2-15-4)20-3-16-5-7(12)17-10(21)18-9(5)20/h1-3H,(H2,11,13,14)(H3,12,17,18,21)
InChIKeyWKWUBWNUOUVYIH-UHFFFAOYSA-N
XLogP-1.26
TPSA159.21 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-amino-9-(6-aminopurin-9-yl)-1H-purin-2-one?
The IUPAC name of 6-amino-9-(6-aminopurin-9-yl)-1H-purin-2-one (CID 91121726) is 6-amino-9-(6-aminopurin-9-yl)-1H-purin-2-one.
What is the SMILES notation for 6-amino-9-(6-aminopurin-9-yl)-1H-purin-2-one?
The canonical SMILES for 6-amino-9-(6-aminopurin-9-yl)-1H-purin-2-one is Nc1ncnc2c1ncn2-n1cnc2c(N)[nH]c(=O)nc21.
What is the InChIKey of 6-amino-9-(6-aminopurin-9-yl)-1H-purin-2-one?
The InChIKey is WKWUBWNUOUVYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N10O/c11-6-4-8(14-1-13-6)19(2-15-4)20-3-16-5-7(12)17-10(21)18-9(5)20/h1-3H,(H2,11,13,14)(H3,12,17,18,21).
What are the key properties of 6-amino-9-(6-aminopurin-9-yl)-1H-purin-2-one?
6-amino-9-(6-aminopurin-9-yl)-1H-purin-2-one has a molecular weight of 284.24 g/mol, XLogP of -1.26, 1 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-9-(6-aminopurin-9-yl)-1H-purin-2-one is sourced from PubChem (CID 91121726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).