1-[2-[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]ethyl]-5-benzyl-3-phenylimidazolidine-2,4-dione

C27H27N7O5 — CID 71158367

IUPAC1-[2-[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]ethyl]-5-benzyl-3-phenylimidazolidine-2,4-dione
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](CCN2C(=O)N(c3ccccc3)C(=O)C2Cc2ccccc2)[C@@H](O)C1O
InChIInChI=1S/C27H27N7O5/c28-23-20-24(30-14-29-23)33(15-31-20)26-22(36)21(35)19(39-26)11-12-32-18(13-16-7-3-1-4-8-16)25(37)34(27(32)38)17-9-5-2-6-10-17/h1-10,14-15,18-19,21-22,26,35-36H,11-13H2,(H2,28,29,30)/t18?,19-,21-,22?,26-/m1/s1
InChIKeyJVWNTSKOKPAAHK-NWOMZDSVSA-N
MW529.56 g/mol
LogP1.50
Rot. Bonds7

About 1-[2-[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]ethyl]-5-benzyl-3-phenylimidazolidine-2,4-dione

1-[2-[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]ethyl]-5-benzyl-3-phenylimidazolidine-2,4-dione (PubChem CID 71158367) has the molecular formula C27H27N7O5 and a molecular weight of 529.56 g/mol. Its IUPAC name is 1-[2-[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]ethyl]-5-benzyl-3-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]ethyl]-5-benzyl-3-phenylimidazolidine-2,4-dione
PubChem CID71158367
Molecular FormulaC27H27N7O5
Molecular Weight529.56 g/mol
Exact Mass529.21
IUPAC Name1-[2-[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]ethyl]-5-benzyl-3-phenylimidazolidine-2,4-dione
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](CCN2C(=O)N(c3ccccc3)C(=O)C2Cc2ccccc2)[C@@H](O)C1O
InChIInChI=1S/C27H27N7O5/c28-23-20-24(30-14-29-23)33(15-31-20)26-22(36)21(35)19(39-26)11-12-32-18(13-16-7-3-1-4-8-16)25(37)34(27(32)38)17-9-5-2-6-10-17/h1-10,14-15,18-19,21-22,26,35-36H,11-13H2,(H2,28,29,30)/t18?,19-,21-,22?,26-/m1/s1
InChIKeyJVWNTSKOKPAAHK-NWOMZDSVSA-N
XLogP1.50
TPSA159.93 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.56
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 1-[2-[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]ethyl]-5-benzyl-3-phenylimidazolidine-2,4-dione 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

(2R,4R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-(2-phenylethyl)oxolan-3-ol
CID 174151376
(2R,3S,5S)-2-(6-aminopurin-9-yl)-5-(sulfanylmethyl)oxolane-3,4-diol
CID 59737005
3-[(2R,3S,4S)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]propanamide
CID 46874719
(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(benzenesulfinylmethyl)oxolane-3,4-diol
CID 10407113
(2R,3R,4S,5R)-2-(6-(15N)azanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 11129405
(2S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 163837057
2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 191
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 23279550
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolane-3,4-diol
CID 123223819
5-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-2-oxopentanoic acid
CID 91081072
(2S)-2-amino-N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-phenylpropanamide
CID 44601593
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;phosphane
CID 158226828

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]ethyl]-5-benzyl-3-phenylimidazolidine-2,4-dione?
The IUPAC name of 1-[2-[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]ethyl]-5-benzyl-3-phenylimidazolidine-2,4-dione (CID 71158367) is 1-[2-[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]ethyl]-5-benzyl-3-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[2-[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]ethyl]-5-benzyl-3-phenylimidazolidine-2,4-dione?
The canonical SMILES for 1-[2-[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]ethyl]-5-benzyl-3-phenylimidazolidine-2,4-dione is Nc1ncnc2c1ncn2[C@@H]1O[C@H](CCN2C(=O)N(c3ccccc3)C(=O)C2Cc2ccccc2)[C@@H](O)C1O.
What is the InChIKey of 1-[2-[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]ethyl]-5-benzyl-3-phenylimidazolidine-2,4-dione?
The InChIKey is JVWNTSKOKPAAHK-NWOMZDSVSA-N. The full InChI is InChI=1S/C27H27N7O5/c28-23-20-24(30-14-29-23)33(15-31-20)26-22(36)21(35)19(39-26)11-12-32-18(13-16-7-3-1-4-8-16)25(37)34(27(32)38)17-9-5-2-6-10-17/h1-10,14-15,18-19,21-22,26,35-36H,11-13H2,(H2,28,29,30)/t18?,19-,21-,22?,26-/m1/s1.
What are the key properties of 1-[2-[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]ethyl]-5-benzyl-3-phenylimidazolidine-2,4-dione?
1-[2-[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]ethyl]-5-benzyl-3-phenylimidazolidine-2,4-dione has a molecular weight of 529.56 g/mol, XLogP of 1.50, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]ethyl]-5-benzyl-3-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 71158367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).