2-[[5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl-methylamino]ethyl N-(4-tert-butylphenyl)carbamate

C24H33N7O4 — CID 123302129

IUPAC2-[[5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl-methylamino]ethyl N-(4-tert-butylphenyl)carbamate
SMILESCN(CCOC(=O)Nc1ccc(C(C)(C)C)cc1)CC1CC(O)C(n2cnc3c(N)ncnc32)O1
InChIInChI=1S/C24H33N7O4/c1-24(2,3)15-5-7-16(8-6-15)29-23(33)34-10-9-30(4)12-17-11-18(32)22(35-17)31-14-28-19-20(25)26-13-27-21(19)31/h5-8,13-14,17-18,22,32H,9-12H2,1-4H3,(H,29,33)(H2,25,26,27)
InChIKeyJSBQVEHYQQVSSG-UHFFFAOYSA-N
MW483.57 g/mol
LogP2.53
Rot. Bonds7

About 2-[[5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl-methylamino]ethyl N-(4-tert-butylphenyl)carbamate

2-[[5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl-methylamino]ethyl N-(4-tert-butylphenyl)carbamate (PubChem CID 123302129) has the molecular formula C24H33N7O4 and a molecular weight of 483.57 g/mol. Its IUPAC name is 2-[[5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl-methylamino]ethyl N-(4-tert-butylphenyl)carbamate.

Molecular Properties

Compound Name2-[[5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl-methylamino]ethyl N-(4-tert-butylphenyl)carbamate
PubChem CID123302129
Molecular FormulaC24H33N7O4
Molecular Weight483.57 g/mol
Exact Mass483.26
IUPAC Name2-[[5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl-methylamino]ethyl N-(4-tert-butylphenyl)carbamate
SMILESCN(CCOC(=O)Nc1ccc(C(C)(C)C)cc1)CC1CC(O)C(n2cnc3c(N)ncnc32)O1
InChIInChI=1S/C24H33N7O4/c1-24(2,3)15-5-7-16(8-6-15)29-23(33)34-10-9-30(4)12-17-11-18(32)22(35-17)31-14-28-19-20(25)26-13-27-21(19)31/h5-8,13-14,17-18,22,32H,9-12H2,1-4H3,(H,29,33)(H2,25,26,27)
InChIKeyJSBQVEHYQQVSSG-UHFFFAOYSA-N
XLogP2.53
TPSA140.65 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-[[5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl-methylamino]ethyl N-(4-tert-butylphenyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(3aR,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl-methylamino]ethyl N-(4-tert-butylphenyl)carbamate
CID 126713042
1-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]propyl]-3-(4-tert-butylphenyl)urea
CID 57384118
N-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-[(4-tert-butylphenyl)carbamoylamino]-N-methylpropanamide
CID 67973266
1-[2-[[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl-methylamino]ethyl]-3-(4-tert-butylphenyl)urea
CID 90064308
(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol
CID 14192244
6-[[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl-methylamino]-N-(4-tert-butylphenyl)hexanamide
CID 159176603
N-[3-[[(2R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]propyl]-2-(4-tert-butylphenyl)acetamide
CID 130228092
1-[2-[[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]ethyl]-3-[(4-tert-butylphenyl)methyl]urea
CID 67988983
1-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-(2-hydroxyethyl)amino]propyl]-3-(4-tert-butylphenyl)urea
CID 57406960
(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(prop-1-en-2-yloxymethyl)oxolan-3-ol
CID 155058716
1-[3-[[(3aS,4R,6S,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methyl-methylamino]propyl]-3-(4-tert-butylphenyl)urea
CID 67812900
(2R,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolan-3-ol
CID 91227656

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl-methylamino]ethyl N-(4-tert-butylphenyl)carbamate?
The IUPAC name of 2-[[5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl-methylamino]ethyl N-(4-tert-butylphenyl)carbamate (CID 123302129) is 2-[[5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl-methylamino]ethyl N-(4-tert-butylphenyl)carbamate.
What is the SMILES notation for 2-[[5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl-methylamino]ethyl N-(4-tert-butylphenyl)carbamate?
The canonical SMILES for 2-[[5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl-methylamino]ethyl N-(4-tert-butylphenyl)carbamate is CN(CCOC(=O)Nc1ccc(C(C)(C)C)cc1)CC1CC(O)C(n2cnc3c(N)ncnc32)O1.
What is the InChIKey of 2-[[5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl-methylamino]ethyl N-(4-tert-butylphenyl)carbamate?
The InChIKey is JSBQVEHYQQVSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O4/c1-24(2,3)15-5-7-16(8-6-15)29-23(33)34-10-9-30(4)12-17-11-18(32)22(35-17)31-14-28-19-20(25)26-13-27-21(19)31/h5-8,13-14,17-18,22,32H,9-12H2,1-4H3,(H,29,33)(H2,25,26,27).
What are the key properties of 2-[[5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl-methylamino]ethyl N-(4-tert-butylphenyl)carbamate?
2-[[5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl-methylamino]ethyl N-(4-tert-butylphenyl)carbamate has a molecular weight of 483.57 g/mol, XLogP of 2.53, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl-methylamino]ethyl N-(4-tert-butylphenyl)carbamate is sourced from PubChem (CID 123302129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).