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

C10H8N10O2 — CID 136623389

IUPAC2-amino-9-(2-aminopurin-9-yl)-1,7-dihydropurine-6,8-dione
SMILESNc1ncc2ncn(-n3c(=O)[nH]c4c(=O)[nH]c(N)nc43)c2n1
InChIInChI=1S/C10H8N10O2/c11-8-13-1-3-5(16-8)19(2-14-3)20-6-4(15-10(20)22)7(21)18-9(12)17-6/h1-2H,(H,15,22)(H2,11,13,16)(H3,12,17,18,21)
InChIKeyOGDHRABQLDPRIZ-UHFFFAOYSA-N
MW300.24 g/mol
LogP-1.97
Rot. Bonds1

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

2-amino-9-(2-aminopurin-9-yl)-1,7-dihydropurine-6,8-dione (PubChem CID 136623389) has the molecular formula C10H8N10O2 and a molecular weight of 300.24 g/mol. Its IUPAC name is 2-amino-9-(2-aminopurin-9-yl)-1,7-dihydropurine-6,8-dione.

Molecular Properties

Compound Name2-amino-9-(2-aminopurin-9-yl)-1,7-dihydropurine-6,8-dione
PubChem CID136623389
Molecular FormulaC10H8N10O2
Molecular Weight300.24 g/mol
Exact Mass300.08
IUPAC Name2-amino-9-(2-aminopurin-9-yl)-1,7-dihydropurine-6,8-dione
SMILESNc1ncc2ncn(-n3c(=O)[nH]c4c(=O)[nH]c(N)nc43)c2n1
InChIInChI=1S/C10H8N10O2/c11-8-13-1-3-5(16-8)19(2-14-3)20-6-4(15-10(20)22)7(21)18-9(12)17-6/h1-2H,(H,15,22)(H2,11,13,16)(H3,12,17,18,21)
InChIKeyOGDHRABQLDPRIZ-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

3,8-diamino-7H-purine-2,6-dione
CID 66980062
2-amino-9-[2-amino-6-(methoxyamino)purin-9-yl]-1H-purin-6-one
CID 170160535
9-ethenylpurin-2-amine
CID 22555835
2-amino-9-[2-(ethylamino)-6-oxo-1H-purin-9-yl]-1H-purin-6-one
CID 136657308
2-amino-9-ethyl-1H-purin-6-one
CID 135415584
(2-aminopurin-9-yl) methanesulfonate
CID 174832428
9-propylpurin-2-amine
CID 58755499
2-amino-9-(6-tert-butyl-2-pyridinyl)-1,7-dihydropurine-6,8-dione
CID 155214722
2-amino-9-(2-aminoethyl)-1H-purin-6-one;hydrochloride
CID 162422020
2-(2-aminopurin-9-yl)ethanol;ethane
CID 142975458
2-amino-9-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,7-dihydropurine-6,8-dione
CID 135433642
2-amino-9-[(2R,4R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,7-dihydropurine-6,8-dione
CID 163296296

Frequently Asked Questions

What is the IUPAC name of 2-amino-9-(2-aminopurin-9-yl)-1,7-dihydropurine-6,8-dione?
The IUPAC name of 2-amino-9-(2-aminopurin-9-yl)-1,7-dihydropurine-6,8-dione (CID 136623389) is 2-amino-9-(2-aminopurin-9-yl)-1,7-dihydropurine-6,8-dione.
What is the SMILES notation for 2-amino-9-(2-aminopurin-9-yl)-1,7-dihydropurine-6,8-dione?
The canonical SMILES for 2-amino-9-(2-aminopurin-9-yl)-1,7-dihydropurine-6,8-dione is Nc1ncc2ncn(-n3c(=O)[nH]c4c(=O)[nH]c(N)nc43)c2n1.
What is the InChIKey of 2-amino-9-(2-aminopurin-9-yl)-1,7-dihydropurine-6,8-dione?
The InChIKey is OGDHRABQLDPRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N10O2/c11-8-13-1-3-5(16-8)19(2-14-3)20-6-4(15-10(20)22)7(21)18-9(12)17-6/h1-2H,(H,15,22)(H2,11,13,16)(H3,12,17,18,21).
What are the key properties of 2-amino-9-(2-aminopurin-9-yl)-1,7-dihydropurine-6,8-dione?
2-amino-9-(2-aminopurin-9-yl)-1,7-dihydropurine-6,8-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 2-amino-9-(2-aminopurin-9-yl)-1,7-dihydropurine-6,8-dione is sourced from PubChem (CID 136623389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).