6-N-(2,3-dimethylcyclohexyl)-7H-purine-2,6-diamine

C13H20N6 — CID 104623136

IUPAC6-N-(2,3-dimethylcyclohexyl)-7H-purine-2,6-diamine
SMILESCC1CCCC(Nc2nc(N)nc3nc[nH]c23)C1C
InChIInChI=1S/C13H20N6/c1-7-4-3-5-9(8(7)2)17-12-10-11(16-6-15-10)18-13(14)19-12/h6-9H,3-5H2,1-2H3,(H4,14,15,16,17,18,19)
InChIKeyIIFNEWMLQMYZRD-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.17
Rot. Bonds2

About 6-N-(2,3-dimethylcyclohexyl)-7H-purine-2,6-diamine

6-N-(2,3-dimethylcyclohexyl)-7H-purine-2,6-diamine (PubChem CID 104623136) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 6-N-(2,3-dimethylcyclohexyl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2,3-dimethylcyclohexyl)-7H-purine-2,6-diamine
PubChem CID104623136
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name6-N-(2,3-dimethylcyclohexyl)-7H-purine-2,6-diamine
SMILESCC1CCCC(Nc2nc(N)nc3nc[nH]c23)C1C
InChIInChI=1S/C13H20N6/c1-7-4-3-5-9(8(7)2)17-12-10-11(16-6-15-10)18-13(14)19-12/h6-9H,3-5H2,1-2H3,(H4,14,15,16,17,18,19)
InChIKeyIIFNEWMLQMYZRD-UHFFFAOYSA-N
XLogP2.17
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-cyclobutyl-7H-purine-2,6-diamine
CID 18430660
6-N-(2-propan-2-ylcyclohexyl)-7H-purine-2,6-diamine
CID 114785800
6-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-7H-purine-2,6-diamine
CID 138582572
6-N-cyclopropyl-7H-purine-2,6-diamine;hydrochloride
CID 19934360
4-[(2-amino-7H-purin-6-yl)amino]cyclohexan-1-ol
CID 104623891
6-N-(cyclobutylmethyl)-7H-purine-2,6-diamine
CID 115669383
6-N-tert-butyl-7H-purine-2,6-diamine
CID 114783406
6-N-(1,4-diazabicyclo[2.2.2]octan-2-yl)-7H-purine-2,6-diamine
CID 54444173
6-N-fluoro-7H-purine-2,6-diamine
CID 143836083
6-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-7H-purine-2,6-diamine
CID 114785762
6-chloro-7H-purin-2-amine;bis(cyclohexanamine);6-N-cyclohexyl-7H-purine-2,6-diamine;hydrochloride
CID 159837159
2-chloro-N-[(1S,2S)-2-methoxycyclopentyl]-7H-purin-6-amine
CID 141233178

Frequently Asked Questions

What is the IUPAC name of 6-N-(2,3-dimethylcyclohexyl)-7H-purine-2,6-diamine?
The IUPAC name of 6-N-(2,3-dimethylcyclohexyl)-7H-purine-2,6-diamine (CID 104623136) is 6-N-(2,3-dimethylcyclohexyl)-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-(2,3-dimethylcyclohexyl)-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-(2,3-dimethylcyclohexyl)-7H-purine-2,6-diamine is CC1CCCC(Nc2nc(N)nc3nc[nH]c23)C1C.
What is the InChIKey of 6-N-(2,3-dimethylcyclohexyl)-7H-purine-2,6-diamine?
The InChIKey is IIFNEWMLQMYZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-7-4-3-5-9(8(7)2)17-12-10-11(16-6-15-10)18-13(14)19-12/h6-9H,3-5H2,1-2H3,(H4,14,15,16,17,18,19).
What are the key properties of 6-N-(2,3-dimethylcyclohexyl)-7H-purine-2,6-diamine?
6-N-(2,3-dimethylcyclohexyl)-7H-purine-2,6-diamine has a molecular weight of 260.34 g/mol, XLogP of 2.17, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,3-dimethylcyclohexyl)-7H-purine-2,6-diamine is sourced from PubChem (CID 104623136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).