6-N-cyclopropyl-7H-purine-2,6-diamine;hydrochloride

C8H11ClN6 — CID 19934360

IUPAC6-N-cyclopropyl-7H-purine-2,6-diamine;hydrochloride
SMILESCl.Nc1nc(NC2CC2)c2[nH]cnc2n1
InChIInChI=1S/C8H10N6.ClH/c9-8-13-6-5(10-3-11-6)7(14-8)12-4-1-2-4;/h3-4H,1-2H2,(H4,9,10,11,12,13,14);1H
InChIKeyHXTGHWDAJRWAGQ-UHFFFAOYSA-N
MW226.67 g/mol
LogP0.93
Rot. Bonds2

About 6-N-cyclopropyl-7H-purine-2,6-diamine;hydrochloride

6-N-cyclopropyl-7H-purine-2,6-diamine;hydrochloride (PubChem CID 19934360) has the molecular formula C8H11ClN6 and a molecular weight of 226.67 g/mol. Its IUPAC name is 6-N-cyclopropyl-7H-purine-2,6-diamine;hydrochloride.

Molecular Properties

Compound Name6-N-cyclopropyl-7H-purine-2,6-diamine;hydrochloride
PubChem CID19934360
Molecular FormulaC8H11ClN6
Molecular Weight226.67 g/mol
Exact Mass226.07
IUPAC Name6-N-cyclopropyl-7H-purine-2,6-diamine;hydrochloride
SMILESCl.Nc1nc(NC2CC2)c2[nH]cnc2n1
InChIInChI=1S/C8H10N6.ClH/c9-8-13-6-5(10-3-11-6)7(14-8)12-4-1-2-4;/h3-4H,1-2H2,(H4,9,10,11,12,13,14);1H
InChIKeyHXTGHWDAJRWAGQ-UHFFFAOYSA-N
XLogP0.93
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.67
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-cyclobutyl-7H-purine-2,6-diamine
CID 18430660
4-[(2-amino-7H-purin-6-yl)amino]cyclohexan-1-ol
CID 104623891
6-chloro-7H-purin-2-amine;bis(cyclohexanamine);6-N-cyclohexyl-7H-purine-2,6-diamine;hydrochloride
CID 159837159
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
6-N-(cyclobutylmethyl)-7H-purine-2,6-diamine
CID 115669383

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopropyl-7H-purine-2,6-diamine;hydrochloride?
The IUPAC name of 6-N-cyclopropyl-7H-purine-2,6-diamine;hydrochloride (CID 19934360) is 6-N-cyclopropyl-7H-purine-2,6-diamine;hydrochloride.
What is the SMILES notation for 6-N-cyclopropyl-7H-purine-2,6-diamine;hydrochloride?
The canonical SMILES for 6-N-cyclopropyl-7H-purine-2,6-diamine;hydrochloride is Cl.Nc1nc(NC2CC2)c2[nH]cnc2n1.
What is the InChIKey of 6-N-cyclopropyl-7H-purine-2,6-diamine;hydrochloride?
The InChIKey is HXTGHWDAJRWAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6.ClH/c9-8-13-6-5(10-3-11-6)7(14-8)12-4-1-2-4;/h3-4H,1-2H2,(H4,9,10,11,12,13,14);1H.
What are the key properties of 6-N-cyclopropyl-7H-purine-2,6-diamine;hydrochloride?
6-N-cyclopropyl-7H-purine-2,6-diamine;hydrochloride has a molecular weight of 226.67 g/mol, XLogP of 0.93, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopropyl-7H-purine-2,6-diamine;hydrochloride is sourced from PubChem (CID 19934360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).