2-N-(4-aminocyclohexyl)-6-N-cyclopentyl-7H-purine-2,6-diamine

C16H25N7 — CID 141001606

IUPAC2-N-(4-aminocyclohexyl)-6-N-cyclopentyl-7H-purine-2,6-diamine
SMILESNC1CCC(Nc2nc(NC3CCCC3)c3[nH]cnc3n2)CC1
InChIInChI=1S/C16H25N7/c17-10-5-7-12(8-6-10)21-16-22-14-13(18-9-19-14)15(23-16)20-11-3-1-2-4-11/h9-12H,1-8,17H2,(H3,18,19,20,21,22,23)
InChIKeyNAOUMMNYSRPMCR-UHFFFAOYSA-N
MW315.43 g/mol
LogP2.39
Rot. Bonds4

About 2-N-(4-aminocyclohexyl)-6-N-cyclopentyl-7H-purine-2,6-diamine

2-N-(4-aminocyclohexyl)-6-N-cyclopentyl-7H-purine-2,6-diamine (PubChem CID 141001606) has the molecular formula C16H25N7 and a molecular weight of 315.43 g/mol. Its IUPAC name is 2-N-(4-aminocyclohexyl)-6-N-cyclopentyl-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-(4-aminocyclohexyl)-6-N-cyclopentyl-7H-purine-2,6-diamine
PubChem CID141001606
Molecular FormulaC16H25N7
Molecular Weight315.43 g/mol
Exact Mass315.22
IUPAC Name2-N-(4-aminocyclohexyl)-6-N-cyclopentyl-7H-purine-2,6-diamine
SMILESNC1CCC(Nc2nc(NC3CCCC3)c3[nH]cnc3n2)CC1
InChIInChI=1S/C16H25N7/c17-10-5-7-12(8-6-10)21-16-22-14-13(18-9-19-14)15(23-16)20-11-3-1-2-4-11/h9-12H,1-8,17H2,(H3,18,19,20,21,22,23)
InChIKeyNAOUMMNYSRPMCR-UHFFFAOYSA-N
XLogP2.39
TPSA104.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.43
LogP ≤ 52.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(4-aminocyclohexyl)-6-N-phenyl-7H-purine-2,6-diamine;dihydrochloride
CID 22149693
6-N-cyclopentyl-2-N-ethyl-7H-purine-2,6-diamine
CID 114783648
6-N-cyclopropyl-7H-purine-2,6-diamine;hydrochloride
CID 19934360
6-N-cyclobutyl-7H-purine-2,6-diamine
CID 18430660
6-N-(4-ethylcyclohexyl)-2-N-methyl-7H-purine-2,6-diamine
CID 114784239
2-N-(4-aminocyclohexyl)-6-N-[2-(benzylamino)ethyl]-7H-purine-2,6-diamine;hydrochloride
CID 159115587
6-N-cyclopropyl-2-N-pyridin-4-yl-7H-purine-2,6-diamine
CID 25121463
2-chloro-N-cyclooctyl-7H-purin-6-amine
CID 11587232
6-chloro-7H-purin-2-amine;bis(cyclohexanamine);6-N-cyclohexyl-7H-purine-2,6-diamine;hydrochloride
CID 159837159
4-[(2-amino-7H-purin-6-yl)amino]cyclohexan-1-ol
CID 104623891
2-N-methyl-6-N-(1-methylpiperidin-3-yl)-7H-purine-2,6-diamine
CID 114784075
4-N-[6-(5,6-dichloro-3H-benzimidazol-1-ium-1-yl)-7H-purin-2-yl]cyclohexane-1,4-diamine
CID 123335424

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-aminocyclohexyl)-6-N-cyclopentyl-7H-purine-2,6-diamine?
The IUPAC name of 2-N-(4-aminocyclohexyl)-6-N-cyclopentyl-7H-purine-2,6-diamine (CID 141001606) is 2-N-(4-aminocyclohexyl)-6-N-cyclopentyl-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-(4-aminocyclohexyl)-6-N-cyclopentyl-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-(4-aminocyclohexyl)-6-N-cyclopentyl-7H-purine-2,6-diamine is NC1CCC(Nc2nc(NC3CCCC3)c3[nH]cnc3n2)CC1.
What is the InChIKey of 2-N-(4-aminocyclohexyl)-6-N-cyclopentyl-7H-purine-2,6-diamine?
The InChIKey is NAOUMMNYSRPMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7/c17-10-5-7-12(8-6-10)21-16-22-14-13(18-9-19-14)15(23-16)20-11-3-1-2-4-11/h9-12H,1-8,17H2,(H3,18,19,20,21,22,23).
What are the key properties of 2-N-(4-aminocyclohexyl)-6-N-cyclopentyl-7H-purine-2,6-diamine?
2-N-(4-aminocyclohexyl)-6-N-cyclopentyl-7H-purine-2,6-diamine has a molecular weight of 315.43 g/mol, XLogP of 2.39, 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-cyclopentyl-7H-purine-2,6-diamine is sourced from PubChem (CID 141001606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).