4-(6-aminopurin-9-yl)-2-[[2-(2,5-dimethylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol

C26H29N7O3 — CID 139447935

IUPAC4-(6-aminopurin-9-yl)-2-[[2-(2,5-dimethylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol
SMILESCc1ccc2c3c(C)cccc3n(CCNCC3OCC(O)(n4cnc5c(N)ncnc54)C3O)c2c1
InChIInChI=1S/C26H29N7O3/c1-15-6-7-17-19(10-15)32(18-5-3-4-16(2)21(17)18)9-8-28-11-20-23(34)26(35,12-36-20)33-14-31-22-24(27)29-13-30-25(22)33/h3-7,10,13-14,20,23,28,34-35H,8-9,11-12H2,1-2H3,(H2,27,29,30)
InChIKeyVJHVCEJGXBLUAH-UHFFFAOYSA-N
MW487.56 g/mol
LogP1.83
Rot. Bonds6

About 4-(6-aminopurin-9-yl)-2-[[2-(2,5-dimethylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol

4-(6-aminopurin-9-yl)-2-[[2-(2,5-dimethylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol (PubChem CID 139447935) has the molecular formula C26H29N7O3 and a molecular weight of 487.56 g/mol. Its IUPAC name is 4-(6-aminopurin-9-yl)-2-[[2-(2,5-dimethylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol.

Molecular Properties

Compound Name4-(6-aminopurin-9-yl)-2-[[2-(2,5-dimethylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol
PubChem CID139447935
Molecular FormulaC26H29N7O3
Molecular Weight487.56 g/mol
Exact Mass487.23
IUPAC Name4-(6-aminopurin-9-yl)-2-[[2-(2,5-dimethylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol
SMILESCc1ccc2c3c(C)cccc3n(CCNCC3OCC(O)(n4cnc5c(N)ncnc54)C3O)c2c1
InChIInChI=1S/C26H29N7O3/c1-15-6-7-17-19(10-15)32(18-5-3-4-16(2)21(17)18)9-8-28-11-20-23(34)26(35,12-36-20)33-14-31-22-24(27)29-13-30-25(22)33/h3-7,10,13-14,20,23,28,34-35H,8-9,11-12H2,1-2H3,(H2,27,29,30)
InChIKeyVJHVCEJGXBLUAH-UHFFFAOYSA-N
XLogP1.83
TPSA136.27 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 51.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(6-aminopurin-9-yl)-2-[[2-(2,5-dimethylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol with MolForge

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Related Compounds

4-(6-aminopurin-9-yl)-2-[(2-carbazol-9-ylethylamino)methyl]oxolane-3,4-diol
CID 139447927
4-(6-aminopurin-9-yl)-2-[[2-(benzotriazol-1-yl)ethylamino]methyl]oxolane-3,4-diol
CID 139448182
N-[[4-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-4-methylbenzenesulfonamide
CID 134460327
2-(6-aminopurin-9-yl)-5-[[2-(1-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol
CID 134460208
1-[3-[[4-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfinyl]propyl]-3-(4-tert-butylphenyl)urea
CID 123392733
2-(2-tert-butyl-7-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(2,5-dimethylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(2-fluorocarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;methane;2-[[2-(2-methoxy-7-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-(1-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(2-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(3-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine
CID 158396011
(3R,4R)-4-(6-aminopurin-9-yl)-2-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfinylmethyl]oxolane-3,4-diol
CID 163702950
2-[3-[[(3aS,6R,6aR)-3a-(6-aminopurin-9-yl)-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-6-yl]methylamino]propyl]isoindole-1,3-dione
CID 163740029
1-[3-[[4-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-(2-methylpropyl)amino]propyl]-3-(4-tert-butylphenyl)urea
CID 123246922
(2R,3R,4R)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolane-3,4-diol
CID 67235799
1-[(3R,4S,5R)-4-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-2-methylpropan-1-one
CID 57270283
9-[2-[2-[2-(trifluoromethyl)carbazol-9-yl]ethylamino]ethoxymethyl]purin-6-amine
CID 134460112

Frequently Asked Questions

What is the IUPAC name of 4-(6-aminopurin-9-yl)-2-[[2-(2,5-dimethylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol?
The IUPAC name of 4-(6-aminopurin-9-yl)-2-[[2-(2,5-dimethylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol (CID 139447935) is 4-(6-aminopurin-9-yl)-2-[[2-(2,5-dimethylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol.
What is the SMILES notation for 4-(6-aminopurin-9-yl)-2-[[2-(2,5-dimethylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol?
The canonical SMILES for 4-(6-aminopurin-9-yl)-2-[[2-(2,5-dimethylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol is Cc1ccc2c3c(C)cccc3n(CCNCC3OCC(O)(n4cnc5c(N)ncnc54)C3O)c2c1.
What is the InChIKey of 4-(6-aminopurin-9-yl)-2-[[2-(2,5-dimethylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol?
The InChIKey is VJHVCEJGXBLUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O3/c1-15-6-7-17-19(10-15)32(18-5-3-4-16(2)21(17)18)9-8-28-11-20-23(34)26(35,12-36-20)33-14-31-22-24(27)29-13-30-25(22)33/h3-7,10,13-14,20,23,28,34-35H,8-9,11-12H2,1-2H3,(H2,27,29,30).
What are the key properties of 4-(6-aminopurin-9-yl)-2-[[2-(2,5-dimethylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol?
4-(6-aminopurin-9-yl)-2-[[2-(2,5-dimethylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol has a molecular weight of 487.56 g/mol, XLogP of 1.83, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-aminopurin-9-yl)-2-[[2-(2,5-dimethylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol is sourced from PubChem (CID 139447935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).