2-N-(1-benzylpiperidin-4-yl)-9-cyclohexyl-6-N-propylpurine-2,6-diamine

C26H37N7 — CID 117091774

IUPAC2-N-(1-benzylpiperidin-4-yl)-9-cyclohexyl-6-N-propylpurine-2,6-diamine
SMILESCCCNc1nc(NC2CCN(Cc3ccccc3)CC2)nc2c1ncn2C1CCCCC1
InChIInChI=1S/C26H37N7/c1-2-15-27-24-23-25(33(19-28-23)22-11-7-4-8-12-22)31-26(30-24)29-21-13-16-32(17-14-21)18-20-9-5-3-6-10-20/h3,5-6,9-10,19,21-22H,2,4,7-8,11-18H2,1H3,(H2,27,29,30,31)
InChIKeyMZIIDEFIYGMTEU-UHFFFAOYSA-N
MW447.63 g/mol
LogP5.23
Rot. Bonds8

About 2-N-(1-benzylpiperidin-4-yl)-9-cyclohexyl-6-N-propylpurine-2,6-diamine

2-N-(1-benzylpiperidin-4-yl)-9-cyclohexyl-6-N-propylpurine-2,6-diamine (PubChem CID 117091774) has the molecular formula C26H37N7 and a molecular weight of 447.63 g/mol. Its IUPAC name is 2-N-(1-benzylpiperidin-4-yl)-9-cyclohexyl-6-N-propylpurine-2,6-diamine.

Molecular Properties

Compound Name2-N-(1-benzylpiperidin-4-yl)-9-cyclohexyl-6-N-propylpurine-2,6-diamine
PubChem CID117091774
Molecular FormulaC26H37N7
Molecular Weight447.63 g/mol
Exact Mass447.31
IUPAC Name2-N-(1-benzylpiperidin-4-yl)-9-cyclohexyl-6-N-propylpurine-2,6-diamine
SMILESCCCNc1nc(NC2CCN(Cc3ccccc3)CC2)nc2c1ncn2C1CCCCC1
InChIInChI=1S/C26H37N7/c1-2-15-27-24-23-25(33(19-28-23)22-11-7-4-8-12-22)31-26(30-24)29-21-13-16-32(17-14-21)18-20-9-5-3-6-10-20/h3,5-6,9-10,19,21-22H,2,4,7-8,11-18H2,1H3,(H2,27,29,30,31)
InChIKeyMZIIDEFIYGMTEU-UHFFFAOYSA-N
XLogP5.23
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.63
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-(1-benzylpiperidin-4-yl)-9-cyclohexyl-6-N-propylpurine-2,6-diamine with MolForge

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Related Compounds

2-N-(1-benzylpiperidin-4-yl)-9-phenyl-6-N-propylpurine-2,6-diamine
CID 117079494
2-N-(4-aminocyclohexyl)-6-N-[(1-benzylpiperidin-4-yl)methyl]-9-cyclopentylpurine-2,6-diamine
CID 22896358
6-N-benzyl-2-N-cyclohexyl-9-cyclopentylpurine-2,6-diamine
CID 59552324
2-N-(1-benzylpiperidin-4-yl)-6-N-propyl-9-thiophen-3-ylpurine-2,6-diamine
CID 117079496
tert-butyl N-[4-[[6-[(1-benzylpiperidin-4-yl)amino]-9-cyclopentylpurin-2-yl]amino]cyclohexyl]carbamate
CID 69019914
N-(1-benzylpiperidin-4-yl)-9-cyclohexyl-2-(4-methoxyphenyl)purin-6-amine
CID 117088891
9-cyclohexyl-6-N-propyl-2-N-pyridin-4-ylpurine-2,6-diamine
CID 117079255
2-N-(4-aminocyclohexyl)-6-N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-9-cyclopentylpurine-2,6-diamine
CID 22896351
4-[2-[[2-[(1-benzylpiperidin-4-yl)amino]-9-phenylpurin-6-yl]amino]ethyl]phenol
CID 117089202
2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-hexylpurine-2,6-diamine;dihydrochloride
CID 18473399
4-N-[9-cyclopentyl-6-[2-(2-phenylethyl)hydrazinyl]purin-2-yl]cyclohexane-1,4-diamine
CID 18473325
6-N-(4-aminocyclohexyl)-9-cyclopentyl-2-N-[1-[4-(2-phenylethoxy)butyl]piperidin-4-yl]purine-2,6-diamine
CID 10153104

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-benzylpiperidin-4-yl)-9-cyclohexyl-6-N-propylpurine-2,6-diamine?
The IUPAC name of 2-N-(1-benzylpiperidin-4-yl)-9-cyclohexyl-6-N-propylpurine-2,6-diamine (CID 117091774) is 2-N-(1-benzylpiperidin-4-yl)-9-cyclohexyl-6-N-propylpurine-2,6-diamine.
What is the SMILES notation for 2-N-(1-benzylpiperidin-4-yl)-9-cyclohexyl-6-N-propylpurine-2,6-diamine?
The canonical SMILES for 2-N-(1-benzylpiperidin-4-yl)-9-cyclohexyl-6-N-propylpurine-2,6-diamine is CCCNc1nc(NC2CCN(Cc3ccccc3)CC2)nc2c1ncn2C1CCCCC1.
What is the InChIKey of 2-N-(1-benzylpiperidin-4-yl)-9-cyclohexyl-6-N-propylpurine-2,6-diamine?
The InChIKey is MZIIDEFIYGMTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N7/c1-2-15-27-24-23-25(33(19-28-23)22-11-7-4-8-12-22)31-26(30-24)29-21-13-16-32(17-14-21)18-20-9-5-3-6-10-20/h3,5-6,9-10,19,21-22H,2,4,7-8,11-18H2,1H3,(H2,27,29,30,31).
What are the key properties of 2-N-(1-benzylpiperidin-4-yl)-9-cyclohexyl-6-N-propylpurine-2,6-diamine?
2-N-(1-benzylpiperidin-4-yl)-9-cyclohexyl-6-N-propylpurine-2,6-diamine has a molecular weight of 447.63 g/mol, XLogP of 5.23, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-benzylpiperidin-4-yl)-9-cyclohexyl-6-N-propylpurine-2,6-diamine is sourced from PubChem (CID 117091774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).