6-N-(2-propan-2-ylcyclohexyl)-7H-purine-2,6-diamine

C14H22N6 — CID 114785800

IUPAC6-N-(2-propan-2-ylcyclohexyl)-7H-purine-2,6-diamine
SMILESCC(C)C1CCCCC1Nc1nc(N)nc2nc[nH]c12
InChIInChI=1S/C14H22N6/c1-8(2)9-5-3-4-6-10(9)18-13-11-12(17-7-16-11)19-14(15)20-13/h7-10H,3-6H2,1-2H3,(H4,15,16,17,18,19,20)
InChIKeyGQAWEQQJTCBPRV-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.56
Rot. Bonds3

About 6-N-(2-propan-2-ylcyclohexyl)-7H-purine-2,6-diamine

6-N-(2-propan-2-ylcyclohexyl)-7H-purine-2,6-diamine (PubChem CID 114785800) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 6-N-(2-propan-2-ylcyclohexyl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2-propan-2-ylcyclohexyl)-7H-purine-2,6-diamine
PubChem CID114785800
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name6-N-(2-propan-2-ylcyclohexyl)-7H-purine-2,6-diamine
SMILESCC(C)C1CCCCC1Nc1nc(N)nc2nc[nH]c12
InChIInChI=1S/C14H22N6/c1-8(2)9-5-3-4-6-10(9)18-13-11-12(17-7-16-11)19-14(15)20-13/h7-10H,3-6H2,1-2H3,(H4,15,16,17,18,19,20)
InChIKeyGQAWEQQJTCBPRV-UHFFFAOYSA-N
XLogP2.56
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-N-(2-propan-2-ylcyclohexyl)-7H-purine-2,6-diamine with MolForge

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Related Compounds

6-N-(2,3-dimethylcyclohexyl)-7H-purine-2,6-diamine
CID 104623136
6-N-cyclobutyl-7H-purine-2,6-diamine
CID 18430660
6-N-cyclopropyl-7H-purine-2,6-diamine;hydrochloride
CID 19934360
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-(1,4-diazabicyclo[2.2.2]octan-2-yl)-7H-purine-2,6-diamine
CID 54444173
6-chloro-7H-purin-2-amine;bis(cyclohexanamine);6-N-cyclohexyl-7H-purine-2,6-diamine;hydrochloride
CID 159837159
6-N-(cyclobutylmethyl)-7H-purine-2,6-diamine
CID 115669383
6-N-(3-cyclopentylpropyl)-7H-purine-2,6-diamine
CID 104623232
6-N-fluoro-7H-purine-2,6-diamine
CID 143836083
6-N-(2,3-dimethylbutyl)-7H-purine-2,6-diamine
CID 104623745
6-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-7H-purine-2,6-diamine
CID 114785762

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-propan-2-ylcyclohexyl)-7H-purine-2,6-diamine?
The IUPAC name of 6-N-(2-propan-2-ylcyclohexyl)-7H-purine-2,6-diamine (CID 114785800) is 6-N-(2-propan-2-ylcyclohexyl)-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-(2-propan-2-ylcyclohexyl)-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-(2-propan-2-ylcyclohexyl)-7H-purine-2,6-diamine is CC(C)C1CCCCC1Nc1nc(N)nc2nc[nH]c12.
What is the InChIKey of 6-N-(2-propan-2-ylcyclohexyl)-7H-purine-2,6-diamine?
The InChIKey is GQAWEQQJTCBPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-8(2)9-5-3-4-6-10(9)18-13-11-12(17-7-16-11)19-14(15)20-13/h7-10H,3-6H2,1-2H3,(H4,15,16,17,18,19,20).
What are the key properties of 6-N-(2-propan-2-ylcyclohexyl)-7H-purine-2,6-diamine?
6-N-(2-propan-2-ylcyclohexyl)-7H-purine-2,6-diamine has a molecular weight of 274.37 g/mol, XLogP of 2.56, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-propan-2-ylcyclohexyl)-7H-purine-2,6-diamine is sourced from PubChem (CID 114785800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).