acetonitrile;2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-phenylpurine-2,6-diamine

C24H32N8 — CID 69349660

IUPACacetonitrile;2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-phenylpurine-2,6-diamine
SMILESCC#N.NC1CCC(Nc2nc(Nc3ccccc3)c3ncn(C4CCCC4)c3n2)CC1
InChIInChI=1S/C22H29N7.C2H3N/c23-15-10-12-17(13-11-15)26-22-27-20(25-16-6-2-1-3-7-16)19-21(28-22)29(14-24-19)18-8-4-5-9-18;1-2-3/h1-3,6-7,14-15,17-18H,4-5,8-13,23H2,(H2,25,26,27,28);1H3
InChIKeyHBQHZDBZKUBMRB-UHFFFAOYSA-N
MW432.58 g/mol
LogP4.90
Rot. Bonds5

About acetonitrile;2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-phenylpurine-2,6-diamine

acetonitrile;2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-phenylpurine-2,6-diamine (PubChem CID 69349660) has the molecular formula C24H32N8 and a molecular weight of 432.58 g/mol. Its IUPAC name is acetonitrile;2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-phenylpurine-2,6-diamine.

Molecular Properties

Compound Nameacetonitrile;2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-phenylpurine-2,6-diamine
PubChem CID69349660
Molecular FormulaC24H32N8
Molecular Weight432.58 g/mol
Exact Mass432.27
IUPAC Nameacetonitrile;2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-phenylpurine-2,6-diamine
SMILESCC#N.NC1CCC(Nc2nc(Nc3ccccc3)c3ncn(C4CCCC4)c3n2)CC1
InChIInChI=1S/C22H29N7.C2H3N/c23-15-10-12-17(13-11-15)26-22-27-20(25-16-6-2-1-3-7-16)19-21(28-22)29(14-24-19)18-8-4-5-9-18;1-2-3/h1-3,6-7,14-15,17-18H,4-5,8-13,23H2,(H2,25,26,27,28);1H3
InChIKeyHBQHZDBZKUBMRB-UHFFFAOYSA-N
XLogP4.90
TPSA117.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.58
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

4-N-[9-cyclopentyl-6-[2-(2-phenylethyl)hydrazinyl]purin-2-yl]cyclohexane-1,4-diamine
CID 18473325
2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(6-morpholin-4-yl-3-pyridinyl)purine-2,6-diamine
CID 142432629
2-N-(4-aminocyclohexyl)-6-N-[(1-benzylpiperidin-4-yl)methyl]-9-cyclopentylpurine-2,6-diamine
CID 22896358
4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]-N-(3-cyanophenyl)piperidine-1-carboxamide
CID 91464326
2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[4-[(2-methylphenyl)methyl]piperidin-1-yl]purine-2,6-diamine
CID 18001664
2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-hexylpurine-2,6-diamine;dihydrochloride
CID 18473399
1-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidin-1-yl]-2-phenylbutan-1-one
CID 10282549
2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[1-(cyclopropylmethyl)piperidin-4-yl]purine-2,6-diamine
CID 22896340
2-N-(4-aminocyclohexyl)-6-N-[(4-chlorophenyl)methyl]-9-cyclopentylpurine-2,6-diamine
CID 18473431
2-N-(4-aminocyclohexyl)-6-N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-9-cyclopentylpurine-2,6-diamine
CID 22896351
1-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidin-1-yl]-2-hydroxy-2-phenylethanone;dihydrochloride
CID 22563806
6-N-benzyl-2-N-cyclohexyl-9-cyclopentylpurine-2,6-diamine
CID 59552324

Frequently Asked Questions

What is the IUPAC name of acetonitrile;2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-phenylpurine-2,6-diamine?
The IUPAC name of acetonitrile;2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-phenylpurine-2,6-diamine (CID 69349660) is acetonitrile;2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-phenylpurine-2,6-diamine.
What is the SMILES notation for acetonitrile;2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-phenylpurine-2,6-diamine?
The canonical SMILES for acetonitrile;2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-phenylpurine-2,6-diamine is CC#N.NC1CCC(Nc2nc(Nc3ccccc3)c3ncn(C4CCCC4)c3n2)CC1.
What is the InChIKey of acetonitrile;2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-phenylpurine-2,6-diamine?
The InChIKey is HBQHZDBZKUBMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7.C2H3N/c23-15-10-12-17(13-11-15)26-22-27-20(25-16-6-2-1-3-7-16)19-21(28-22)29(14-24-19)18-8-4-5-9-18;1-2-3/h1-3,6-7,14-15,17-18H,4-5,8-13,23H2,(H2,25,26,27,28);1H3.
What are the key properties of acetonitrile;2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-phenylpurine-2,6-diamine?
acetonitrile;2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-phenylpurine-2,6-diamine has a molecular weight of 432.58 g/mol, XLogP of 4.90, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-phenylpurine-2,6-diamine is sourced from PubChem (CID 69349660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).