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

C24H33N7O2 — CID 117081628

IUPAC4-[[6-(4-morpholin-4-ylanilino)-9-propan-2-ylpurin-2-yl]amino]cyclohexan-1-ol
SMILESCC(C)n1cnc2c(Nc3ccc(N4CCOCC4)cc3)nc(NC3CCC(O)CC3)nc21
InChIInChI=1S/C24H33N7O2/c1-16(2)31-15-25-21-22(26-17-3-7-19(8-4-17)30-11-13-33-14-12-30)28-24(29-23(21)31)27-18-5-9-20(32)10-6-18/h3-4,7-8,15-16,18,20,32H,5-6,9-14H2,1-2H3,(H2,26,27,28,29)
InChIKeyDDRIFALSCFETMG-UHFFFAOYSA-N
MW451.58 g/mol
LogP3.70
Rot. Bonds6

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

4-[[6-(4-morpholin-4-ylanilino)-9-propan-2-ylpurin-2-yl]amino]cyclohexan-1-ol (PubChem CID 117081628) has the molecular formula C24H33N7O2 and a molecular weight of 451.58 g/mol. Its IUPAC name is 4-[[6-(4-morpholin-4-ylanilino)-9-propan-2-ylpurin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[6-(4-morpholin-4-ylanilino)-9-propan-2-ylpurin-2-yl]amino]cyclohexan-1-ol
PubChem CID117081628
Molecular FormulaC24H33N7O2
Molecular Weight451.58 g/mol
Exact Mass451.27
IUPAC Name4-[[6-(4-morpholin-4-ylanilino)-9-propan-2-ylpurin-2-yl]amino]cyclohexan-1-ol
SMILESCC(C)n1cnc2c(Nc3ccc(N4CCOCC4)cc3)nc(NC3CCC(O)CC3)nc21
InChIInChI=1S/C24H33N7O2/c1-16(2)31-15-25-21-22(26-17-3-7-19(8-4-17)30-11-13-33-14-12-30)28-24(29-23(21)31)27-18-5-9-20(32)10-6-18/h3-4,7-8,15-16,18,20,32H,5-6,9-14H2,1-2H3,(H2,26,27,28,29)
InChIKeyDDRIFALSCFETMG-UHFFFAOYSA-N
XLogP3.70
TPSA100.36 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.58
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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

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Launch Full Analysis

Related Compounds

2-N,6-N-bis(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine
CID 117079543
6-N-(4-morpholin-4-ylphenyl)-2-N-phenyl-9-propan-2-ylpurine-2,6-diamine
CID 117082186
2-N-(2-morpholin-4-ylethyl)-6-N-(4-morpholin-4-ylphenyl)-9-propan-2-ylpurine-2,6-diamine
CID 117082508
2-N-(4-morpholin-4-ylphenyl)-9-propan-2-yl-6-N-(3,4,5-trimethoxyphenyl)purine-2,6-diamine
CID 117081196
1-[3-[[6-[4-(4-methylpiperazin-1-yl)anilino]-9-propan-2-ylpurin-2-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one
CID 118073659
4-[[6-(4-bromo-3,5-dimethoxyanilino)-9-propan-2-ylpurin-2-yl]amino]cyclohexan-1-ol
CID 176909297
1-[3-[6-(4-morpholin-4-ylanilino)-9-propan-2-ylpurin-2-yl]phenyl]ethanone
CID 117083990
4-[[6-(3-bromo-4-chloro-5-methoxyanilino)-9-propan-2-ylpurin-2-yl]amino]cyclohexan-1-ol
CID 176909270
4-[[6-[3-bromo-5-(difluoromethoxy)anilino]-9-propan-2-ylpurin-2-yl]amino]cyclohexan-1-ol
CID 176909352
6-N-cyclopropyl-2-N-phenyl-9-propan-2-ylpurine-2,6-diamine
CID 117080255
4-[[9-ethyl-6-[4-(4-phenylpiperazin-1-yl)sulfonylanilino]purin-2-yl]amino]cyclohexan-1-ol
CID 23504684
N-[4-[[9-cyclohexyl-2-(4-morpholin-4-ylanilino)purin-6-yl]amino]phenyl]acetamide
CID 117086882

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(4-morpholin-4-ylanilino)-9-propan-2-ylpurin-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[6-(4-morpholin-4-ylanilino)-9-propan-2-ylpurin-2-yl]amino]cyclohexan-1-ol (CID 117081628) is 4-[[6-(4-morpholin-4-ylanilino)-9-propan-2-ylpurin-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[6-(4-morpholin-4-ylanilino)-9-propan-2-ylpurin-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[6-(4-morpholin-4-ylanilino)-9-propan-2-ylpurin-2-yl]amino]cyclohexan-1-ol is CC(C)n1cnc2c(Nc3ccc(N4CCOCC4)cc3)nc(NC3CCC(O)CC3)nc21.
What is the InChIKey of 4-[[6-(4-morpholin-4-ylanilino)-9-propan-2-ylpurin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is DDRIFALSCFETMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O2/c1-16(2)31-15-25-21-22(26-17-3-7-19(8-4-17)30-11-13-33-14-12-30)28-24(29-23(21)31)27-18-5-9-20(32)10-6-18/h3-4,7-8,15-16,18,20,32H,5-6,9-14H2,1-2H3,(H2,26,27,28,29).
What are the key properties of 4-[[6-(4-morpholin-4-ylanilino)-9-propan-2-ylpurin-2-yl]amino]cyclohexan-1-ol?
4-[[6-(4-morpholin-4-ylanilino)-9-propan-2-ylpurin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 451.58 g/mol, XLogP of 3.70, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(4-morpholin-4-ylanilino)-9-propan-2-ylpurin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 117081628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).