2-[5-[[[2-[(2-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]methyl]-2-pyridinyl]phenol

C28H34N8O — CID 154065175

IUPAC2-[5-[[[2-[(2-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]methyl]-2-pyridinyl]phenol
SMILESNC1CCCCC1Nc1nc(NCc2ccc(-c3ccccc3O)nc2)c2ncn(C3CCCC3)c2n1
InChIInChI=1S/C28H34N8O/c29-21-10-4-5-11-23(21)33-28-34-26(25-27(35-28)36(17-32-25)19-7-1-2-8-19)31-16-18-13-14-22(30-15-18)20-9-3-6-12-24(20)37/h3,6,9,12-15,17,19,21,23,37H,1-2,4-5,7-8,10-11,16,29H2,(H2,31,33,34,35)
InChIKeyISPJOFRYESUPMA-UHFFFAOYSA-N
MW498.64 g/mol
LogP5.00
Rot. Bonds7

About 2-[5-[[[2-[(2-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]methyl]-2-pyridinyl]phenol

2-[5-[[[2-[(2-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]methyl]-2-pyridinyl]phenol (PubChem CID 154065175) has the molecular formula C28H34N8O and a molecular weight of 498.64 g/mol. Its IUPAC name is 2-[5-[[[2-[(2-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]methyl]-2-pyridinyl]phenol.

Molecular Properties

Compound Name2-[5-[[[2-[(2-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]methyl]-2-pyridinyl]phenol
PubChem CID154065175
Molecular FormulaC28H34N8O
Molecular Weight498.64 g/mol
Exact Mass498.29
IUPAC Name2-[5-[[[2-[(2-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]methyl]-2-pyridinyl]phenol
SMILESNC1CCCCC1Nc1nc(NCc2ccc(-c3ccccc3O)nc2)c2ncn(C3CCCC3)c2n1
InChIInChI=1S/C28H34N8O/c29-21-10-4-5-11-23(21)33-28-34-26(25-27(35-28)36(17-32-25)19-7-1-2-8-19)31-16-18-13-14-22(30-15-18)20-9-3-6-12-24(20)37/h3,6,9,12-15,17,19,21,23,37H,1-2,4-5,7-8,10-11,16,29H2,(H2,31,33,34,35)
InChIKeyISPJOFRYESUPMA-UHFFFAOYSA-N
XLogP5.00
TPSA126.80 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.64
LogP ≤ 55.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 2-[5-[[[2-[(2-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]methyl]-2-pyridinyl]phenol with MolForge

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Launch Full Analysis

Related Compounds

2-N-(4-amino-3-methylcyclohexyl)-6-N-[[6-(2-aminophenyl)-3-pyridinyl]methyl]-9-cyclopentylpurine-2,6-diamine
CID 144680088
2-N-[(1R,2S)-2-aminocyclohexyl]-6-N-[(6-phenyl-3-pyridinyl)methyl]-9-propan-2-ylpurine-2,6-diamine
CID 59118766
2-N-(2-aminocyclohexyl)-9-cyclopentyl-6-N-[[4-(3-fluorophenyl)phenyl]methyl]purine-2,6-diamine
CID 154065177
2-[[[2-[[(1R,2R)-2-aminocyclohexyl]amino]-9-propan-2-ylpurin-6-yl]amino]methyl]phenol
CID 118736144
6-N-benzyl-2-N-cyclohexyl-9-cyclopentylpurine-2,6-diamine
CID 59552324
2-N-[(1R,2S)-2-aminocyclohexyl]-9-propan-2-yl-6-N-(pyridin-3-ylmethyl)purine-2,6-diamine
CID 59095048
2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[(6-thiophen-3-yl-3-pyridinyl)methyl]purine-2,6-diamine
CID 71817797
2-[5-[[[9-cyclopentyl-2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]purin-6-yl]amino]methyl]-2-pyridinyl]phenol
CID 136510967
2-N-[(1R,3S)-4-amino-3-fluorocyclohexyl]-6-N-benzyl-9-cyclopentylpurine-2,6-diamine
CID 69348559
2-N-(4-aminocyclohexyl)-6-N-[(4-chlorophenyl)methyl]-9-cyclopentylpurine-2,6-diamine
CID 18473431
3-[[6-[[4-(2-aminophenyl)phenyl]methylamino]-9-cyclopentylpurin-2-yl]amino]pentan-2-ol
CID 90332676
1-[[9-cyclopentyl-6-[(6-thiophen-3-yl-3-pyridinyl)methylamino]purin-2-yl]amino]-2-methylpropan-2-ol
CID 90332593

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[[2-[(2-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]methyl]-2-pyridinyl]phenol?
The IUPAC name of 2-[5-[[[2-[(2-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]methyl]-2-pyridinyl]phenol (CID 154065175) is 2-[5-[[[2-[(2-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]methyl]-2-pyridinyl]phenol.
What is the SMILES notation for 2-[5-[[[2-[(2-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]methyl]-2-pyridinyl]phenol?
The canonical SMILES for 2-[5-[[[2-[(2-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]methyl]-2-pyridinyl]phenol is NC1CCCCC1Nc1nc(NCc2ccc(-c3ccccc3O)nc2)c2ncn(C3CCCC3)c2n1.
What is the InChIKey of 2-[5-[[[2-[(2-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]methyl]-2-pyridinyl]phenol?
The InChIKey is ISPJOFRYESUPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N8O/c29-21-10-4-5-11-23(21)33-28-34-26(25-27(35-28)36(17-32-25)19-7-1-2-8-19)31-16-18-13-14-22(30-15-18)20-9-3-6-12-24(20)37/h3,6,9,12-15,17,19,21,23,37H,1-2,4-5,7-8,10-11,16,29H2,(H2,31,33,34,35).
What are the key properties of 2-[5-[[[2-[(2-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]methyl]-2-pyridinyl]phenol?
2-[5-[[[2-[(2-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]methyl]-2-pyridinyl]phenol has a molecular weight of 498.64 g/mol, XLogP of 5.00, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[[2-[(2-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]methyl]-2-pyridinyl]phenol is sourced from PubChem (CID 154065175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).