2-N-(4-aminocyclohexyl)-6-N-phenyl-7H-purine-2,6-diamine;dihydrochloride

C17H23Cl2N7 — CID 22149693

IUPAC2-N-(4-aminocyclohexyl)-6-N-phenyl-7H-purine-2,6-diamine;dihydrochloride
SMILESCl.Cl.NC1CCC(Nc2nc(Nc3ccccc3)c3[nH]cnc3n2)CC1
InChIInChI=1S/C17H21N7.2ClH/c18-11-6-8-13(9-7-11)22-17-23-15-14(19-10-20-15)16(24-17)21-12-4-2-1-3-5-12;;/h1-5,10-11,13H,6-9,18H2,(H3,19,20,21,22,23,24);2*1H
InChIKeyLWNUEFHMKAUCJI-UHFFFAOYSA-N
MW396.33 g/mol
LogP3.62
Rot. Bonds4

About 2-N-(4-aminocyclohexyl)-6-N-phenyl-7H-purine-2,6-diamine;dihydrochloride

2-N-(4-aminocyclohexyl)-6-N-phenyl-7H-purine-2,6-diamine;dihydrochloride (PubChem CID 22149693) has the molecular formula C17H23Cl2N7 and a molecular weight of 396.33 g/mol. Its IUPAC name is 2-N-(4-aminocyclohexyl)-6-N-phenyl-7H-purine-2,6-diamine;dihydrochloride.

Molecular Properties

Compound Name2-N-(4-aminocyclohexyl)-6-N-phenyl-7H-purine-2,6-diamine;dihydrochloride
PubChem CID22149693
Molecular FormulaC17H23Cl2N7
Molecular Weight396.33 g/mol
Exact Mass395.14
IUPAC Name2-N-(4-aminocyclohexyl)-6-N-phenyl-7H-purine-2,6-diamine;dihydrochloride
SMILESCl.Cl.NC1CCC(Nc2nc(Nc3ccccc3)c3[nH]cnc3n2)CC1
InChIInChI=1S/C17H21N7.2ClH/c18-11-6-8-13(9-7-11)22-17-23-15-14(19-10-20-15)16(24-17)21-12-4-2-1-3-5-12;;/h1-5,10-11,13H,6-9,18H2,(H3,19,20,21,22,23,24);2*1H
InChIKeyLWNUEFHMKAUCJI-UHFFFAOYSA-N
XLogP3.62
TPSA104.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.33
LogP ≤ 53.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(4-aminocyclohexyl)-6-N-cyclopentyl-7H-purine-2,6-diamine
CID 141001606
2-N-(4-aminocyclohexyl)-6-N-[2-(benzylamino)ethyl]-7H-purine-2,6-diamine;hydrochloride
CID 159115587
3-[(6-anilino-7H-purin-2-yl)amino]-1-methylcyclobutan-1-ol
CID 167951915
2-[(6-anilino-7H-purin-2-yl)amino]-N-cyclopropylacetamide
CID 167795736
6-N-cyclopropyl-2-N-pyridin-4-yl-7H-purine-2,6-diamine
CID 25121463
2-[(4-aminocyclohexyl)amino]-4-anilinopyrimidine-5-carboxamide
CID 66576399
2-N-cycloheptyl-6-N-[4-(2,3-dihydrothiophen-2-yl)phenyl]-7H-purine-2,6-diamine
CID 11589546
5-N-(4-aminocyclohexyl)-3-ethyl-7-N-phenyltriazolo[4,5-d]pyrimidine-5,7-diamine
CID 68645648
6-N-(1-benzothiophen-6-yl)-2-N-cycloheptyl-7H-purine-2,6-diamine
CID 11567043
6-N-cyclopropyl-2-N-quinolin-3-yl-7H-purine-2,6-diamine
CID 58774172
6-N-cyclopropyl-7H-purine-2,6-diamine;hydrochloride
CID 19934360
N-(2,3-dihydro-1H-inden-2-yl)-2-hydrazinyl-7H-purin-6-amine
CID 58451194

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-aminocyclohexyl)-6-N-phenyl-7H-purine-2,6-diamine;dihydrochloride?
The IUPAC name of 2-N-(4-aminocyclohexyl)-6-N-phenyl-7H-purine-2,6-diamine;dihydrochloride (CID 22149693) is 2-N-(4-aminocyclohexyl)-6-N-phenyl-7H-purine-2,6-diamine;dihydrochloride.
What is the SMILES notation for 2-N-(4-aminocyclohexyl)-6-N-phenyl-7H-purine-2,6-diamine;dihydrochloride?
The canonical SMILES for 2-N-(4-aminocyclohexyl)-6-N-phenyl-7H-purine-2,6-diamine;dihydrochloride is Cl.Cl.NC1CCC(Nc2nc(Nc3ccccc3)c3[nH]cnc3n2)CC1.
What is the InChIKey of 2-N-(4-aminocyclohexyl)-6-N-phenyl-7H-purine-2,6-diamine;dihydrochloride?
The InChIKey is LWNUEFHMKAUCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7.2ClH/c18-11-6-8-13(9-7-11)22-17-23-15-14(19-10-20-15)16(24-17)21-12-4-2-1-3-5-12;;/h1-5,10-11,13H,6-9,18H2,(H3,19,20,21,22,23,24);2*1H.
What are the key properties of 2-N-(4-aminocyclohexyl)-6-N-phenyl-7H-purine-2,6-diamine;dihydrochloride?
2-N-(4-aminocyclohexyl)-6-N-phenyl-7H-purine-2,6-diamine;dihydrochloride has a molecular weight of 396.33 g/mol, XLogP of 3.62, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-aminocyclohexyl)-6-N-phenyl-7H-purine-2,6-diamine;dihydrochloride is sourced from PubChem (CID 22149693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).