6-chloro-7H-purin-2-amine;bis(cyclohexanamine);6-N-cyclohexyl-7H-purine-2,6-diamine;hydrochloride

C28H47Cl2N13 — CID 159837159

IUPAC6-chloro-7H-purin-2-amine;bis(cyclohexanamine);6-N-cyclohexyl-7H-purine-2,6-diamine;hydrochloride
SMILESCl.NC1CCCCC1.NC1CCCCC1.Nc1nc(Cl)c2[nH]cnc2n1.Nc1nc(NC2CCCCC2)c2[nH]cnc2n1
InChIInChI=1S/C11H16N6.2C6H13N.C5H4ClN5.ClH/c12-11-16-9-8(13-6-14-9)10(17-11)15-7-4-2-1-3-5-7;2*7-6-4-2-1-3-5-6;6-3-2-4(9-1-8-2)11-5(7)10-3;/h6-7H,1-5H2,(H4,12,13,14,15,16,17);2*6H,1-5,7H2;1H,(H3,7,8,9,10,11);1H
InChIKeyCMAPBGXOPMDGRJ-UHFFFAOYSA-N
MW636.68 g/mol
LogP5.25
Rot. Bonds2

About 6-chloro-7H-purin-2-amine;bis(cyclohexanamine);6-N-cyclohexyl-7H-purine-2,6-diamine;hydrochloride

6-chloro-7H-purin-2-amine;bis(cyclohexanamine);6-N-cyclohexyl-7H-purine-2,6-diamine;hydrochloride (PubChem CID 159837159) has the molecular formula C28H47Cl2N13 and a molecular weight of 636.68 g/mol. Its IUPAC name is 6-chloro-7H-purin-2-amine;bis(cyclohexanamine);6-N-cyclohexyl-7H-purine-2,6-diamine;hydrochloride.

Molecular Properties

Compound Name6-chloro-7H-purin-2-amine;bis(cyclohexanamine);6-N-cyclohexyl-7H-purine-2,6-diamine;hydrochloride
PubChem CID159837159
Molecular FormulaC28H47Cl2N13
Molecular Weight636.68 g/mol
Exact Mass635.35
IUPAC Name6-chloro-7H-purin-2-amine;bis(cyclohexanamine);6-N-cyclohexyl-7H-purine-2,6-diamine;hydrochloride
SMILESCl.NC1CCCCC1.NC1CCCCC1.Nc1nc(Cl)c2[nH]cnc2n1.Nc1nc(NC2CCCCC2)c2[nH]cnc2n1
InChIInChI=1S/C11H16N6.2C6H13N.C5H4ClN5.ClH/c12-11-16-9-8(13-6-14-9)10(17-11)15-7-4-2-1-3-5-7;2*7-6-4-2-1-3-5-6;6-3-2-4(9-1-8-2)11-5(7)10-3;/h6-7H,1-5H2,(H4,12,13,14,15,16,17);2*6H,1-5,7H2;1H,(H3,7,8,9,10,11);1H
InChIKeyCMAPBGXOPMDGRJ-UHFFFAOYSA-N
XLogP5.25
TPSA225.03 Ų
H-Bond Donors7
H-Bond Acceptors11
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500636.68
LogP ≤ 55.25
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1011

Analyze 6-chloro-7H-purin-2-amine;bis(cyclohexanamine);6-N-cyclohexyl-7H-purine-2,6-diamine;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

6-N-cyclopropyl-7H-purine-2,6-diamine;hydrochloride
CID 19934360
6-N-cyclobutyl-7H-purine-2,6-diamine
CID 18430660
4-[(2-amino-7H-purin-6-yl)amino]cyclohexan-1-ol
CID 104623891
2-chloro-N-cyclooctyl-7H-purin-6-amine
CID 11587232
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-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-7H-purine-2,6-diamine
CID 114785762
6-N-(cyclobutylmethyl)-7H-purine-2,6-diamine
CID 115669383
6-N-(3-cyclopentylpropyl)-7H-purine-2,6-diamine
CID 104623232
6-N-(2,3-dimethylcyclohexyl)-7H-purine-2,6-diamine
CID 104623136
6-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-7H-purine-2,6-diamine
CID 138582572
6-N-cyclopentyl-2-N-ethyl-7H-purine-2,6-diamine
CID 114783648

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7H-purin-2-amine;bis(cyclohexanamine);6-N-cyclohexyl-7H-purine-2,6-diamine;hydrochloride?
The IUPAC name of 6-chloro-7H-purin-2-amine;bis(cyclohexanamine);6-N-cyclohexyl-7H-purine-2,6-diamine;hydrochloride (CID 159837159) is 6-chloro-7H-purin-2-amine;bis(cyclohexanamine);6-N-cyclohexyl-7H-purine-2,6-diamine;hydrochloride.
What is the SMILES notation for 6-chloro-7H-purin-2-amine;bis(cyclohexanamine);6-N-cyclohexyl-7H-purine-2,6-diamine;hydrochloride?
The canonical SMILES for 6-chloro-7H-purin-2-amine;bis(cyclohexanamine);6-N-cyclohexyl-7H-purine-2,6-diamine;hydrochloride is Cl.NC1CCCCC1.NC1CCCCC1.Nc1nc(Cl)c2[nH]cnc2n1.Nc1nc(NC2CCCCC2)c2[nH]cnc2n1.
What is the InChIKey of 6-chloro-7H-purin-2-amine;bis(cyclohexanamine);6-N-cyclohexyl-7H-purine-2,6-diamine;hydrochloride?
The InChIKey is CMAPBGXOPMDGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6.2C6H13N.C5H4ClN5.ClH/c12-11-16-9-8(13-6-14-9)10(17-11)15-7-4-2-1-3-5-7;2*7-6-4-2-1-3-5-6;6-3-2-4(9-1-8-2)11-5(7)10-3;/h6-7H,1-5H2,(H4,12,13,14,15,16,17);2*6H,1-5,7H2;1H,(H3,7,8,9,10,11);1H.
What are the key properties of 6-chloro-7H-purin-2-amine;bis(cyclohexanamine);6-N-cyclohexyl-7H-purine-2,6-diamine;hydrochloride?
6-chloro-7H-purin-2-amine;bis(cyclohexanamine);6-N-cyclohexyl-7H-purine-2,6-diamine;hydrochloride has a molecular weight of 636.68 g/mol, XLogP of 5.25, 2 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7H-purin-2-amine;bis(cyclohexanamine);6-N-cyclohexyl-7H-purine-2,6-diamine;hydrochloride is sourced from PubChem (CID 159837159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).