4-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]cyclohexan-1-ol

C27H32N6O — CID 10139208

IUPAC4-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]cyclohexan-1-ol
SMILESCC(C)n1cnc2c(NCc3ccc(-c4ccccc4)cc3)nc(NC3CCC(O)CC3)nc21
InChIInChI=1S/C27H32N6O/c1-18(2)33-17-29-24-25(31-27(32-26(24)33)30-22-12-14-23(34)15-13-22)28-16-19-8-10-21(11-9-19)20-6-4-3-5-7-20/h3-11,17-18,22-23,34H,12-16H2,1-2H3,(H2,28,30,31,32)
InChIKeyQSWCDWIAXDNCCG-UHFFFAOYSA-N
MW456.59 g/mol
LogP5.40
Rot. Bonds7

About 4-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]cyclohexan-1-ol

4-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]cyclohexan-1-ol (PubChem CID 10139208) has the molecular formula C27H32N6O and a molecular weight of 456.59 g/mol. Its IUPAC name is 4-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]cyclohexan-1-ol
PubChem CID10139208
Molecular FormulaC27H32N6O
Molecular Weight456.59 g/mol
Exact Mass456.26
IUPAC Name4-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]cyclohexan-1-ol
SMILESCC(C)n1cnc2c(NCc3ccc(-c4ccccc4)cc3)nc(NC3CCC(O)CC3)nc21
InChIInChI=1S/C27H32N6O/c1-18(2)33-17-29-24-25(31-27(32-26(24)33)30-22-12-14-23(34)15-13-22)28-16-19-8-10-21(11-9-19)20-6-4-3-5-7-20/h3-11,17-18,22-23,34H,12-16H2,1-2H3,(H2,28,30,31,32)
InChIKeyQSWCDWIAXDNCCG-UHFFFAOYSA-N
XLogP5.40
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 55.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]cyclohexan-1-ol with MolForge

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Related Compounds

Roscovitine
CID 160355
Olomoucine
CID 4592
6-benzylamino-9-(2-tetrahydropyranyl)-9H-purine
CID 16834
4-[5-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]-2-[[(2S)-pentan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol
CID 118443595
2-(1-Ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine
CID 5097
(2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol
CID 10224714
(2~{R})-2-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol
CID 10137573
4-(2-(2-Cyclopropylethylamino)-5-(4-((4-methylpiperazin-1-yl)methyl)phenyl)pyrrolo(2,3-d)pyrimidin-7-yl)cyclohexan-1-ol
CID 89495685
3-(6-Amino-purin-9-yl)-6-o-tolyl-hexan-2-ol
CID 9862110
3-(6-Amino-purin-9-yl)-7-phenyl-heptan-2-ol
CID 10404061
3-(6-Amino-purin-9-yl)-6-phenyl-hexan-2-ol
CID 10543066
3-(6-Amino-purin-9-yl)-8-phenyl-octan-2-ol
CID 10593196

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]cyclohexan-1-ol (CID 10139208) is 4-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]cyclohexan-1-ol is CC(C)n1cnc2c(NCc3ccc(-c4ccccc4)cc3)nc(NC3CCC(O)CC3)nc21.
What is the InChIKey of 4-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is QSWCDWIAXDNCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O/c1-18(2)33-17-29-24-25(31-27(32-26(24)33)30-22-12-14-23(34)15-13-22)28-16-19-8-10-21(11-9-19)20-6-4-3-5-7-20/h3-11,17-18,22-23,34H,12-16H2,1-2H3,(H2,28,30,31,32).
What are the key properties of 4-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]cyclohexan-1-ol?
4-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 456.59 g/mol, XLogP of 5.40, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 10139208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).