6-N-(1,4-diazabicyclo[2.2.2]octan-2-yl)-7H-purine-2,6-diamine

C11H16N8 — CID 54444173

IUPAC6-N-(1,4-diazabicyclo[2.2.2]octan-2-yl)-7H-purine-2,6-diamine
SMILESNc1nc(NC2CN3CCN2CC3)c2[nH]cnc2n1
InChIInChI=1S/C11H16N8/c12-11-16-9-8(13-6-14-9)10(17-11)15-7-5-18-1-3-19(7)4-2-18/h6-7H,1-5H2,(H4,12,13,14,15,16,17)
InChIKeyWQHRMLANAFGBJZ-UHFFFAOYSA-N
MW260.30 g/mol
LogP-0.70
Rot. Bonds2

About 6-N-(1,4-diazabicyclo[2.2.2]octan-2-yl)-7H-purine-2,6-diamine

6-N-(1,4-diazabicyclo[2.2.2]octan-2-yl)-7H-purine-2,6-diamine (PubChem CID 54444173) has the molecular formula C11H16N8 and a molecular weight of 260.30 g/mol. Its IUPAC name is 6-N-(1,4-diazabicyclo[2.2.2]octan-2-yl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-(1,4-diazabicyclo[2.2.2]octan-2-yl)-7H-purine-2,6-diamine
PubChem CID54444173
Molecular FormulaC11H16N8
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC Name6-N-(1,4-diazabicyclo[2.2.2]octan-2-yl)-7H-purine-2,6-diamine
SMILESNc1nc(NC2CN3CCN2CC3)c2[nH]cnc2n1
InChIInChI=1S/C11H16N8/c12-11-16-9-8(13-6-14-9)10(17-11)15-7-5-18-1-3-19(7)4-2-18/h6-7H,1-5H2,(H4,12,13,14,15,16,17)
InChIKeyWQHRMLANAFGBJZ-UHFFFAOYSA-N
XLogP-0.70
TPSA98.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-N-(1,4-diazabicyclo[2.2.2]octan-2-yl)-7H-purine-2,6-diamine with MolForge

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Related Compounds

6-N-cyclopropyl-7H-purine-2,6-diamine;hydrochloride
CID 19934360
6-N-cyclobutyl-7H-purine-2,6-diamine
CID 18430660
6-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-7H-purine-2,6-diamine
CID 138582572
4-[(2-amino-7H-purin-6-yl)amino]cyclohexan-1-ol
CID 104623891
6-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-7H-purine-2,6-diamine
CID 114785762
6-N-(2-propan-2-ylcyclohexyl)-7H-purine-2,6-diamine
CID 114785800
6-N-(2,3-dimethylcyclohexyl)-7H-purine-2,6-diamine
CID 104623136
6-N-fluoro-7H-purine-2,6-diamine
CID 143836083
6-N-tert-butyl-7H-purine-2,6-diamine
CID 114783406
6-N-(cyclobutylmethyl)-7H-purine-2,6-diamine
CID 115669383
6-N-[2-(4-methylpiperazin-1-yl)ethyl]-7H-purine-2,6-diamine
CID 104623212
6-N-(3-cyclopentylpropyl)-7H-purine-2,6-diamine
CID 104623232

Frequently Asked Questions

What is the IUPAC name of 6-N-(1,4-diazabicyclo[2.2.2]octan-2-yl)-7H-purine-2,6-diamine?
The IUPAC name of 6-N-(1,4-diazabicyclo[2.2.2]octan-2-yl)-7H-purine-2,6-diamine (CID 54444173) is 6-N-(1,4-diazabicyclo[2.2.2]octan-2-yl)-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-(1,4-diazabicyclo[2.2.2]octan-2-yl)-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-(1,4-diazabicyclo[2.2.2]octan-2-yl)-7H-purine-2,6-diamine is Nc1nc(NC2CN3CCN2CC3)c2[nH]cnc2n1.
What is the InChIKey of 6-N-(1,4-diazabicyclo[2.2.2]octan-2-yl)-7H-purine-2,6-diamine?
The InChIKey is WQHRMLANAFGBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N8/c12-11-16-9-8(13-6-14-9)10(17-11)15-7-5-18-1-3-19(7)4-2-18/h6-7H,1-5H2,(H4,12,13,14,15,16,17).
What are the key properties of 6-N-(1,4-diazabicyclo[2.2.2]octan-2-yl)-7H-purine-2,6-diamine?
6-N-(1,4-diazabicyclo[2.2.2]octan-2-yl)-7H-purine-2,6-diamine has a molecular weight of 260.30 g/mol, XLogP of -0.70, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(1,4-diazabicyclo[2.2.2]octan-2-yl)-7H-purine-2,6-diamine is sourced from PubChem (CID 54444173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).