6-N-(4-aminocyclohexyl)-9-cyclopentyl-2-N-[1-[3-(diethylamino)propyl]piperidin-4-yl]purine-2,6-diamine

C28H49N9 — CID 10128431

IUPAC6-N-(4-aminocyclohexyl)-9-cyclopentyl-2-N-[1-[3-(diethylamino)propyl]piperidin-4-yl]purine-2,6-diamine
SMILESCCN(CC)CCCN1CCC(Nc2nc(NC3CCC(N)CC3)c3ncn(C4CCCC4)c3n2)CC1
InChIInChI=1S/C28H49N9/c1-3-35(4-2)16-7-17-36-18-14-23(15-19-36)32-28-33-26(31-22-12-10-21(29)11-13-22)25-27(34-28)37(20-30-25)24-8-5-6-9-24/h20-24H,3-19,29H2,1-2H3,(H2,31,32,33,34)
InChIKeyXXGKQWRMQVBWNS-UHFFFAOYSA-N
MW511.76 g/mol
LogP4.23
Rot. Bonds11

About 6-N-(4-aminocyclohexyl)-9-cyclopentyl-2-N-[1-[3-(diethylamino)propyl]piperidin-4-yl]purine-2,6-diamine

6-N-(4-aminocyclohexyl)-9-cyclopentyl-2-N-[1-[3-(diethylamino)propyl]piperidin-4-yl]purine-2,6-diamine (PubChem CID 10128431) has the molecular formula C28H49N9 and a molecular weight of 511.76 g/mol. Its IUPAC name is 6-N-(4-aminocyclohexyl)-9-cyclopentyl-2-N-[1-[3-(diethylamino)propyl]piperidin-4-yl]purine-2,6-diamine.

Molecular Properties

Compound Name6-N-(4-aminocyclohexyl)-9-cyclopentyl-2-N-[1-[3-(diethylamino)propyl]piperidin-4-yl]purine-2,6-diamine
PubChem CID10128431
Molecular FormulaC28H49N9
Molecular Weight511.76 g/mol
Exact Mass511.41
IUPAC Name6-N-(4-aminocyclohexyl)-9-cyclopentyl-2-N-[1-[3-(diethylamino)propyl]piperidin-4-yl]purine-2,6-diamine
SMILESCCN(CC)CCCN1CCC(Nc2nc(NC3CCC(N)CC3)c3ncn(C4CCCC4)c3n2)CC1
InChIInChI=1S/C28H49N9/c1-3-35(4-2)16-7-17-36-18-14-23(15-19-36)32-28-33-26(31-22-12-10-21(29)11-13-22)25-27(34-28)37(20-30-25)24-8-5-6-9-24/h20-24H,3-19,29H2,1-2H3,(H2,31,32,33,34)
InChIKeyXXGKQWRMQVBWNS-UHFFFAOYSA-N
XLogP4.23
TPSA100.16 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.76
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 6-N-(4-aminocyclohexyl)-9-cyclopentyl-2-N-[1-[3-(diethylamino)propyl]piperidin-4-yl]purine-2,6-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[1-[3-(dibutylamino)propyl]piperidin-4-yl]purine-2,6-diamine
CID 10239878
2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[1-(4-ethoxybutyl)piperidin-4-yl]purine-2,6-diamine
CID 10195908
2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[1-(cyclopropylmethyl)piperidin-4-yl]purine-2,6-diamine
CID 22896340
6-N-(4-aminocyclohexyl)-9-cyclopentyl-2-N-[1-[4-(2-phenylethoxy)butyl]piperidin-4-yl]purine-2,6-diamine
CID 10153104
1-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidin-1-yl]pentan-1-one
CID 10144126
4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]-N-ethylpiperidine-1-carboxamide
CID 69021040
1-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidin-1-yl]pentan-1-one;dihydrochloride
CID 10144125
2-N-(4-aminocyclohexyl)-6-N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-9-cyclopentylpurine-2,6-diamine
CID 22896351
ethyl 3-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidin-1-yl]-3-oxopropanoate
CID 10121127
4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]-N-pentylpiperidine-1-carboxamide
CID 69020100
2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-hexylpurine-2,6-diamine;dihydrochloride
CID 18473399
[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidin-1-yl] butyl carbonate
CID 69020294

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-aminocyclohexyl)-9-cyclopentyl-2-N-[1-[3-(diethylamino)propyl]piperidin-4-yl]purine-2,6-diamine?
The IUPAC name of 6-N-(4-aminocyclohexyl)-9-cyclopentyl-2-N-[1-[3-(diethylamino)propyl]piperidin-4-yl]purine-2,6-diamine (CID 10128431) is 6-N-(4-aminocyclohexyl)-9-cyclopentyl-2-N-[1-[3-(diethylamino)propyl]piperidin-4-yl]purine-2,6-diamine.
What is the SMILES notation for 6-N-(4-aminocyclohexyl)-9-cyclopentyl-2-N-[1-[3-(diethylamino)propyl]piperidin-4-yl]purine-2,6-diamine?
The canonical SMILES for 6-N-(4-aminocyclohexyl)-9-cyclopentyl-2-N-[1-[3-(diethylamino)propyl]piperidin-4-yl]purine-2,6-diamine is CCN(CC)CCCN1CCC(Nc2nc(NC3CCC(N)CC3)c3ncn(C4CCCC4)c3n2)CC1.
What is the InChIKey of 6-N-(4-aminocyclohexyl)-9-cyclopentyl-2-N-[1-[3-(diethylamino)propyl]piperidin-4-yl]purine-2,6-diamine?
The InChIKey is XXGKQWRMQVBWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H49N9/c1-3-35(4-2)16-7-17-36-18-14-23(15-19-36)32-28-33-26(31-22-12-10-21(29)11-13-22)25-27(34-28)37(20-30-25)24-8-5-6-9-24/h20-24H,3-19,29H2,1-2H3,(H2,31,32,33,34).
What are the key properties of 6-N-(4-aminocyclohexyl)-9-cyclopentyl-2-N-[1-[3-(diethylamino)propyl]piperidin-4-yl]purine-2,6-diamine?
6-N-(4-aminocyclohexyl)-9-cyclopentyl-2-N-[1-[3-(diethylamino)propyl]piperidin-4-yl]purine-2,6-diamine has a molecular weight of 511.76 g/mol, XLogP of 4.23, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-aminocyclohexyl)-9-cyclopentyl-2-N-[1-[3-(diethylamino)propyl]piperidin-4-yl]purine-2,6-diamine is sourced from PubChem (CID 10128431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).