8-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-7H-purin-6-amine

C13H18N6 — CID 114607971

IUPAC8-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-7H-purin-6-amine
SMILESNc1ncnc2nc(CC3CC4CCC(C3)N4)[nH]c12
InChIInChI=1S/C13H18N6/c14-12-11-13(16-6-15-12)19-10(18-11)5-7-3-8-1-2-9(4-7)17-8/h6-9,17H,1-5H2,(H3,14,15,16,18,19)
InChIKeyYPKQBOUTJJMARK-UHFFFAOYSA-N
MW258.33 g/mol
LogP1.01
Rot. Bonds2

About 8-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-7H-purin-6-amine

8-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-7H-purin-6-amine (PubChem CID 114607971) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 8-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-7H-purin-6-amine.

Molecular Properties

Compound Name8-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-7H-purin-6-amine
PubChem CID114607971
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name8-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-7H-purin-6-amine
SMILESNc1ncnc2nc(CC3CC4CCC(C3)N4)[nH]c12
InChIInChI=1S/C13H18N6/c14-12-11-13(16-6-15-12)19-10(18-11)5-7-3-8-1-2-9(4-7)17-8/h6-9,17H,1-5H2,(H3,14,15,16,18,19)
InChIKeyYPKQBOUTJJMARK-UHFFFAOYSA-N
XLogP1.01
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

8-[(cyclopropylmethylamino)methyl]-7H-purin-6-amine
CID 114608013
2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-5-methyl-1H-imidazo[4,5-b]pyridine
CID 81136712
8-(3-ethoxypropyl)-7H-purin-6-amine
CID 114608170
2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-4,5-difluoro-1H-benzimidazole
CID 115911841
8-benzyl-7H-purin-6-amine;ethane
CID 144791619
8-(3-methylbut-3-enyl)-7H-purin-6-amine
CID 155026179
7H-purine-6,8-diamine;dihydrochloride
CID 45264504
8-(thiolan-2-yl)-7H-purin-6-amine
CID 114608230
8-(4-phenylbutyl)-7H-purin-6-amine
CID 4019685
3-(6-amino-7H-purin-8-yl)-1,1,1-trifluoropropan-2-one
CID 114608424
1-amino-3-(6-amino-7H-purin-8-yl)-2-methylpropan-2-ol
CID 114607937
8-(1,1-dioxothiolan-3-yl)-7H-purin-6-amine
CID 114608252

Frequently Asked Questions

What is the IUPAC name of 8-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-7H-purin-6-amine?
The IUPAC name of 8-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-7H-purin-6-amine (CID 114607971) is 8-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-7H-purin-6-amine.
What is the SMILES notation for 8-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-7H-purin-6-amine?
The canonical SMILES for 8-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-7H-purin-6-amine is Nc1ncnc2nc(CC3CC4CCC(C3)N4)[nH]c12.
What is the InChIKey of 8-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-7H-purin-6-amine?
The InChIKey is YPKQBOUTJJMARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c14-12-11-13(16-6-15-12)19-10(18-11)5-7-3-8-1-2-9(4-7)17-8/h6-9,17H,1-5H2,(H3,14,15,16,18,19).
What are the key properties of 8-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-7H-purin-6-amine?
8-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-7H-purin-6-amine has a molecular weight of 258.33 g/mol, XLogP of 1.01, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-7H-purin-6-amine is sourced from PubChem (CID 114607971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).