4-(6-aminopurin-9-yl)-2-[(2-carbazol-9-ylethylamino)methyl]oxolane-3,4-diol

C24H25N7O3 — CID 139447927

IUPAC4-(6-aminopurin-9-yl)-2-[(2-carbazol-9-ylethylamino)methyl]oxolane-3,4-diol
SMILESNc1ncnc2c1ncn2C1(O)COC(CNCCn2c3ccccc3c3ccccc32)C1O
InChIInChI=1S/C24H25N7O3/c25-22-20-23(28-13-27-22)31(14-29-20)24(33)12-34-19(21(24)32)11-26-9-10-30-17-7-3-1-5-15(17)16-6-2-4-8-18(16)30/h1-8,13-14,19,21,26,32-33H,9-12H2,(H2,25,27,28)
InChIKeyMVMKQGCQUNDZMS-UHFFFAOYSA-N
MW459.51 g/mol
LogP1.21
Rot. Bonds6

About 4-(6-aminopurin-9-yl)-2-[(2-carbazol-9-ylethylamino)methyl]oxolane-3,4-diol

4-(6-aminopurin-9-yl)-2-[(2-carbazol-9-ylethylamino)methyl]oxolane-3,4-diol (PubChem CID 139447927) has the molecular formula C24H25N7O3 and a molecular weight of 459.51 g/mol. Its IUPAC name is 4-(6-aminopurin-9-yl)-2-[(2-carbazol-9-ylethylamino)methyl]oxolane-3,4-diol.

Molecular Properties

Compound Name4-(6-aminopurin-9-yl)-2-[(2-carbazol-9-ylethylamino)methyl]oxolane-3,4-diol
PubChem CID139447927
Molecular FormulaC24H25N7O3
Molecular Weight459.51 g/mol
Exact Mass459.20
IUPAC Name4-(6-aminopurin-9-yl)-2-[(2-carbazol-9-ylethylamino)methyl]oxolane-3,4-diol
SMILESNc1ncnc2c1ncn2C1(O)COC(CNCCn2c3ccccc3c3ccccc32)C1O
InChIInChI=1S/C24H25N7O3/c25-22-20-23(28-13-27-22)31(14-29-20)24(33)12-34-19(21(24)32)11-26-9-10-30-17-7-3-1-5-15(17)16-6-2-4-8-18(16)30/h1-8,13-14,19,21,26,32-33H,9-12H2,(H2,25,27,28)
InChIKeyMVMKQGCQUNDZMS-UHFFFAOYSA-N
XLogP1.21
TPSA136.27 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 51.21
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

4-(6-aminopurin-9-yl)-2-[[2-(benzotriazol-1-yl)ethylamino]methyl]oxolane-3,4-diol
CID 139448182
4-(6-aminopurin-9-yl)-2-[[2-(2,5-dimethylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol
CID 139447935
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-[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
9-[2-[2-[2-(trifluoromethyl)carbazol-9-yl]ethylamino]ethoxymethyl]purin-6-amine
CID 134460112
(2R,3R,4R)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolane-3,4-diol
CID 67235799
(3R,4R)-4-(6-aminopurin-9-yl)-2-[4-(6-tert-butyl-1H-benzimidazol-2-yl)butylsulfinylmethyl]oxolane-3,4-diol
CID 163702950
2-amino-N-[[(2R,3R,4R)-4-[6-amino-2-[3-(aminomethyl)anilino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methylsulfamoyl]benzamide
CID 145288554
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-[(1S)-1-phenylethyl]oxolane-3,4-diol
CID 70869379

Frequently Asked Questions

What is the IUPAC name of 4-(6-aminopurin-9-yl)-2-[(2-carbazol-9-ylethylamino)methyl]oxolane-3,4-diol?
The IUPAC name of 4-(6-aminopurin-9-yl)-2-[(2-carbazol-9-ylethylamino)methyl]oxolane-3,4-diol (CID 139447927) is 4-(6-aminopurin-9-yl)-2-[(2-carbazol-9-ylethylamino)methyl]oxolane-3,4-diol.
What is the SMILES notation for 4-(6-aminopurin-9-yl)-2-[(2-carbazol-9-ylethylamino)methyl]oxolane-3,4-diol?
The canonical SMILES for 4-(6-aminopurin-9-yl)-2-[(2-carbazol-9-ylethylamino)methyl]oxolane-3,4-diol is Nc1ncnc2c1ncn2C1(O)COC(CNCCn2c3ccccc3c3ccccc32)C1O.
What is the InChIKey of 4-(6-aminopurin-9-yl)-2-[(2-carbazol-9-ylethylamino)methyl]oxolane-3,4-diol?
The InChIKey is MVMKQGCQUNDZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O3/c25-22-20-23(28-13-27-22)31(14-29-20)24(33)12-34-19(21(24)32)11-26-9-10-30-17-7-3-1-5-15(17)16-6-2-4-8-18(16)30/h1-8,13-14,19,21,26,32-33H,9-12H2,(H2,25,27,28).
What are the key properties of 4-(6-aminopurin-9-yl)-2-[(2-carbazol-9-ylethylamino)methyl]oxolane-3,4-diol?
4-(6-aminopurin-9-yl)-2-[(2-carbazol-9-ylethylamino)methyl]oxolane-3,4-diol has a molecular weight of 459.51 g/mol, XLogP of 1.21, 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-carbazol-9-ylethylamino)methyl]oxolane-3,4-diol is sourced from PubChem (CID 139447927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).