4-[(2-amino-7H-purin-6-yl)amino]cyclohexan-1-ol

C11H16N6O — CID 104623891

IUPAC4-[(2-amino-7H-purin-6-yl)amino]cyclohexan-1-ol
SMILESNc1nc(NC2CCC(O)CC2)c2[nH]cnc2n1
InChIInChI=1S/C11H16N6O/c12-11-16-9-8(13-5-14-9)10(17-11)15-6-1-3-7(18)4-2-6/h5-7,18H,1-4H2,(H4,12,13,14,15,16,17)
InChIKeyRLNJCXGLANBXSK-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.65
Rot. Bonds2

About 4-[(2-amino-7H-purin-6-yl)amino]cyclohexan-1-ol

4-[(2-amino-7H-purin-6-yl)amino]cyclohexan-1-ol (PubChem CID 104623891) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-[(2-amino-7H-purin-6-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(2-amino-7H-purin-6-yl)amino]cyclohexan-1-ol
PubChem CID104623891
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name4-[(2-amino-7H-purin-6-yl)amino]cyclohexan-1-ol
SMILESNc1nc(NC2CCC(O)CC2)c2[nH]cnc2n1
InChIInChI=1S/C11H16N6O/c12-11-16-9-8(13-5-14-9)10(17-11)15-6-1-3-7(18)4-2-6/h5-7,18H,1-4H2,(H4,12,13,14,15,16,17)
InChIKeyRLNJCXGLANBXSK-UHFFFAOYSA-N
XLogP0.65
TPSA112.74 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-[(2-amino-7H-purin-6-yl)amino]cyclohexan-1-ol 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-chloro-7H-purin-2-amine;bis(cyclohexanamine);6-N-cyclohexyl-7H-purine-2,6-diamine;hydrochloride
CID 159837159
4-[[2-(5-methyl-1H-pyrazol-3-yl)-7H-purin-6-yl]amino]cyclohexan-1-ol
CID 166928384
6-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-7H-purine-2,6-diamine
CID 114785762
6-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-7H-purine-2,6-diamine
CID 138582572
2-N-(4-aminocyclohexyl)-6-N-cyclopentyl-7H-purine-2,6-diamine
CID 141001606
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-(1,4-diazabicyclo[2.2.2]octan-2-yl)-7H-purine-2,6-diamine
CID 54444173
2-chloro-N-cyclooctyl-7H-purin-6-amine
CID 11587232

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-7H-purin-6-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(2-amino-7H-purin-6-yl)amino]cyclohexan-1-ol (CID 104623891) is 4-[(2-amino-7H-purin-6-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(2-amino-7H-purin-6-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(2-amino-7H-purin-6-yl)amino]cyclohexan-1-ol is Nc1nc(NC2CCC(O)CC2)c2[nH]cnc2n1.
What is the InChIKey of 4-[(2-amino-7H-purin-6-yl)amino]cyclohexan-1-ol?
The InChIKey is RLNJCXGLANBXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c12-11-16-9-8(13-5-14-9)10(17-11)15-6-1-3-7(18)4-2-6/h5-7,18H,1-4H2,(H4,12,13,14,15,16,17).
What are the key properties of 4-[(2-amino-7H-purin-6-yl)amino]cyclohexan-1-ol?
4-[(2-amino-7H-purin-6-yl)amino]cyclohexan-1-ol has a molecular weight of 248.29 g/mol, XLogP of 0.65, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-7H-purin-6-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 104623891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).