2-(6-aminopurin-9-yl)-5-[[2-(1-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol

C25H27N7O3 — CID 134460208

IUPAC2-(6-aminopurin-9-yl)-5-[[2-(1-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol
SMILESCc1cccc2c3ccccc3n(CCNCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)c12
InChIInChI=1S/C25H27N7O3/c1-14-5-4-7-16-15-6-2-3-8-17(15)31(20(14)16)10-9-27-11-18-21(33)22(34)25(35-18)32-13-30-19-23(26)28-12-29-24(19)32/h2-8,12-13,18,21-22,25,27,33-34H,9-11H2,1H3,(H2,26,28,29)
InChIKeyYUXYGYAZAFVTHZ-UHFFFAOYSA-N
MW473.54 g/mol
LogP1.73
Rot. Bonds6

About 2-(6-aminopurin-9-yl)-5-[[2-(1-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol

2-(6-aminopurin-9-yl)-5-[[2-(1-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol (PubChem CID 134460208) has the molecular formula C25H27N7O3 and a molecular weight of 473.54 g/mol. Its IUPAC name is 2-(6-aminopurin-9-yl)-5-[[2-(1-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol.

Molecular Properties

Compound Name2-(6-aminopurin-9-yl)-5-[[2-(1-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol
PubChem CID134460208
Molecular FormulaC25H27N7O3
Molecular Weight473.54 g/mol
Exact Mass473.22
IUPAC Name2-(6-aminopurin-9-yl)-5-[[2-(1-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol
SMILESCc1cccc2c3ccccc3n(CCNCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)c12
InChIInChI=1S/C25H27N7O3/c1-14-5-4-7-16-15-6-2-3-8-17(15)31(20(14)16)10-9-27-11-18-21(33)22(34)25(35-18)32-13-30-19-23(26)28-12-29-24(19)32/h2-8,12-13,18,21-22,25,27,33-34H,9-11H2,1H3,(H2,26,28,29)
InChIKeyYUXYGYAZAFVTHZ-UHFFFAOYSA-N
XLogP1.73
TPSA136.27 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.54
LogP ≤ 51.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[3-(methylamino)propylamino]methyl]oxolane-3,4-diol
CID 46876256
(2R,3S,4R)-2-[(3-aminopropylamino)methyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol
CID 46876263
2-[[2-(benzimidazol-1-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol
CID 159920700
ethyl 2-[[(2R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylamino]acetate
CID 71045729
4-(6-aminopurin-9-yl)-2-[(2-carbazol-9-ylethylamino)methyl]oxolane-3,4-diol
CID 139447927
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[(3-hydroxyprop-2-enylamino)methyl]oxolane-3,4-diol
CID 70504483
(2R,3S,5S)-2-(6-aminopurin-9-yl)-5-(sulfanylmethyl)oxolane-3,4-diol
CID 59737005
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]oxolane-3,4-diol
CID 46902122
N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-4-methylbenzenesulfonamide
CID 51360201
2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 191
(2R,3R,4S,5R)-2-(6-(15N)azanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 11129405
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 23279550

Frequently Asked Questions

What is the IUPAC name of 2-(6-aminopurin-9-yl)-5-[[2-(1-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol?
The IUPAC name of 2-(6-aminopurin-9-yl)-5-[[2-(1-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol (CID 134460208) is 2-(6-aminopurin-9-yl)-5-[[2-(1-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol.
What is the SMILES notation for 2-(6-aminopurin-9-yl)-5-[[2-(1-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol?
The canonical SMILES for 2-(6-aminopurin-9-yl)-5-[[2-(1-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol is Cc1cccc2c3ccccc3n(CCNCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)c12.
What is the InChIKey of 2-(6-aminopurin-9-yl)-5-[[2-(1-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol?
The InChIKey is YUXYGYAZAFVTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O3/c1-14-5-4-7-16-15-6-2-3-8-17(15)31(20(14)16)10-9-27-11-18-21(33)22(34)25(35-18)32-13-30-19-23(26)28-12-29-24(19)32/h2-8,12-13,18,21-22,25,27,33-34H,9-11H2,1H3,(H2,26,28,29).
What are the key properties of 2-(6-aminopurin-9-yl)-5-[[2-(1-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol?
2-(6-aminopurin-9-yl)-5-[[2-(1-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol has a molecular weight of 473.54 g/mol, XLogP of 1.73, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminopurin-9-yl)-5-[[2-(1-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol is sourced from PubChem (CID 134460208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).