2-[4-[[(9-cyclopentyl-2-piperazin-1-ylpurin-6-yl)amino]methyl]phenyl]phenol

C27H31N7O — CID 118590066

IUPAC2-[4-[[(9-cyclopentyl-2-piperazin-1-ylpurin-6-yl)amino]methyl]phenyl]phenol
SMILESOc1ccccc1-c1ccc(CNc2nc(N3CCNCC3)nc3c2ncn3C2CCCC2)cc1
InChIInChI=1S/C27H31N7O/c35-23-8-4-3-7-22(23)20-11-9-19(10-12-20)17-29-25-24-26(34(18-30-24)21-5-1-2-6-21)32-27(31-25)33-15-13-28-14-16-33/h3-4,7-12,18,21,28,35H,1-2,5-6,13-17H2,(H,29,31,32)
InChIKeyHGFBFACLGVWLTC-UHFFFAOYSA-N
MW469.59 g/mol
LogP4.34
Rot. Bonds6

About 2-[4-[[(9-cyclopentyl-2-piperazin-1-ylpurin-6-yl)amino]methyl]phenyl]phenol

2-[4-[[(9-cyclopentyl-2-piperazin-1-ylpurin-6-yl)amino]methyl]phenyl]phenol (PubChem CID 118590066) has the molecular formula C27H31N7O and a molecular weight of 469.59 g/mol. Its IUPAC name is 2-[4-[[(9-cyclopentyl-2-piperazin-1-ylpurin-6-yl)amino]methyl]phenyl]phenol.

Molecular Properties

Compound Name2-[4-[[(9-cyclopentyl-2-piperazin-1-ylpurin-6-yl)amino]methyl]phenyl]phenol
PubChem CID118590066
Molecular FormulaC27H31N7O
Molecular Weight469.59 g/mol
Exact Mass469.26
IUPAC Name2-[4-[[(9-cyclopentyl-2-piperazin-1-ylpurin-6-yl)amino]methyl]phenyl]phenol
SMILESOc1ccccc1-c1ccc(CNc2nc(N3CCNCC3)nc3c2ncn3C2CCCC2)cc1
InChIInChI=1S/C27H31N7O/c35-23-8-4-3-7-22(23)20-11-9-19(10-12-20)17-29-25-24-26(34(18-30-24)21-5-1-2-6-21)32-27(31-25)33-15-13-28-14-16-33/h3-4,7-12,18,21,28,35H,1-2,5-6,13-17H2,(H,29,31,32)
InChIKeyHGFBFACLGVWLTC-UHFFFAOYSA-N
XLogP4.34
TPSA91.13 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[4-[[(9-cyclopentyl-2-piperazin-1-ylpurin-6-yl)amino]methyl]phenyl]phenol with MolForge

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Related Compounds

9-cyclopentyl-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-piperazin-1-ylpurin-6-amine
CID 90332579
2-[2-[4-[6-[[4-(2-aminophenyl)phenyl]methylamino]-9-cyclopentylpurin-2-yl]piperazin-1-yl]ethoxy]ethanol
CID 90332861
2-[5-[[[9-cyclopentyl-2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]purin-6-yl]amino]methyl]-2-pyridinyl]phenol
CID 136510967
2-[2-[4-[9-cyclopentyl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]piperazin-1-yl]ethoxy]ethanol
CID 90332854
9-cyclopentyl-N-[[4-(furan-3-yl)phenyl]methyl]-2-morpholin-4-ylpurin-6-amine
CID 90333026
3-[[6-[[4-(2-aminophenyl)phenyl]methylamino]-9-cyclopentylpurin-2-yl]amino]pentan-2-ol
CID 90332676
N-benzyl-9-cyclopentyl-2-iodopurin-6-amine
CID 6538908
N-benzyl-9-cyclopentyl-2-fluoropurin-6-amine
CID 118671240
N-(1H-benzimidazol-2-ylmethyl)-9-cyclopentyl-2-morpholin-4-ylpurin-6-amine
CID 50930765
2-[5-[[[2-[(2-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]methyl]-2-pyridinyl]phenol
CID 154065175
2-[4-[1-[6-[(4-chloro-3-fluorophenyl)methylamino]-9-cyclopentylpurin-2-yl]piperidin-4-yl]piperidin-1-yl]ethanol
CID 171391391
6-N-benzyl-2-N-cyclohexyl-9-cyclopentylpurine-2,6-diamine
CID 59552324

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(9-cyclopentyl-2-piperazin-1-ylpurin-6-yl)amino]methyl]phenyl]phenol?
The IUPAC name of 2-[4-[[(9-cyclopentyl-2-piperazin-1-ylpurin-6-yl)amino]methyl]phenyl]phenol (CID 118590066) is 2-[4-[[(9-cyclopentyl-2-piperazin-1-ylpurin-6-yl)amino]methyl]phenyl]phenol.
What is the SMILES notation for 2-[4-[[(9-cyclopentyl-2-piperazin-1-ylpurin-6-yl)amino]methyl]phenyl]phenol?
The canonical SMILES for 2-[4-[[(9-cyclopentyl-2-piperazin-1-ylpurin-6-yl)amino]methyl]phenyl]phenol is Oc1ccccc1-c1ccc(CNc2nc(N3CCNCC3)nc3c2ncn3C2CCCC2)cc1.
What is the InChIKey of 2-[4-[[(9-cyclopentyl-2-piperazin-1-ylpurin-6-yl)amino]methyl]phenyl]phenol?
The InChIKey is HGFBFACLGVWLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O/c35-23-8-4-3-7-22(23)20-11-9-19(10-12-20)17-29-25-24-26(34(18-30-24)21-5-1-2-6-21)32-27(31-25)33-15-13-28-14-16-33/h3-4,7-12,18,21,28,35H,1-2,5-6,13-17H2,(H,29,31,32).
What are the key properties of 2-[4-[[(9-cyclopentyl-2-piperazin-1-ylpurin-6-yl)amino]methyl]phenyl]phenol?
2-[4-[[(9-cyclopentyl-2-piperazin-1-ylpurin-6-yl)amino]methyl]phenyl]phenol has a molecular weight of 469.59 g/mol, XLogP of 4.34, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(9-cyclopentyl-2-piperazin-1-ylpurin-6-yl)amino]methyl]phenyl]phenol is sourced from PubChem (CID 118590066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).