1-[9-[(2R)-5-(hydroxymethyl)-4-oxooxolan-2-yl]-8-oxo-7H-purin-6-yl]-3-phenylurea

C17H16N6O5 — CID 170585253

IUPAC1-[9-[(2R)-5-(hydroxymethyl)-4-oxooxolan-2-yl]-8-oxo-7H-purin-6-yl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ncnc2c1[nH]c(=O)n2[C@H]1CC(=O)C(CO)O1
InChIInChI=1S/C17H16N6O5/c24-7-11-10(25)6-12(28-11)23-15-13(21-17(23)27)14(18-8-19-15)22-16(26)20-9-4-2-1-3-5-9/h1-5,8,11-12,24H,6-7H2,(H,21,27)(H2,18,19,20,22,26)/t11?,12-/m1/s1
InChIKeyAVFGKVZKSVLJFL-PIJUOVFKSA-N
MW384.35 g/mol
LogP0.61
Rot. Bonds4

About 1-[9-[(2R)-5-(hydroxymethyl)-4-oxooxolan-2-yl]-8-oxo-7H-purin-6-yl]-3-phenylurea

1-[9-[(2R)-5-(hydroxymethyl)-4-oxooxolan-2-yl]-8-oxo-7H-purin-6-yl]-3-phenylurea (PubChem CID 170585253) has the molecular formula C17H16N6O5 and a molecular weight of 384.35 g/mol. Its IUPAC name is 1-[9-[(2R)-5-(hydroxymethyl)-4-oxooxolan-2-yl]-8-oxo-7H-purin-6-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[9-[(2R)-5-(hydroxymethyl)-4-oxooxolan-2-yl]-8-oxo-7H-purin-6-yl]-3-phenylurea
PubChem CID170585253
Molecular FormulaC17H16N6O5
Molecular Weight384.35 g/mol
Exact Mass384.12
IUPAC Name1-[9-[(2R)-5-(hydroxymethyl)-4-oxooxolan-2-yl]-8-oxo-7H-purin-6-yl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ncnc2c1[nH]c(=O)n2[C@H]1CC(=O)C(CO)O1
InChIInChI=1S/C17H16N6O5/c24-7-11-10(25)6-12(28-11)23-15-13(21-17(23)27)14(18-8-19-15)22-16(26)20-9-4-2-1-3-5-9/h1-5,8,11-12,24H,6-7H2,(H,21,27)(H2,18,19,20,22,26)/t11?,12-/m1/s1
InChIKeyAVFGKVZKSVLJFL-PIJUOVFKSA-N
XLogP0.61
TPSA151.23 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 50.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 1-[9-[(2R)-5-(hydroxymethyl)-4-oxooxolan-2-yl]-8-oxo-7H-purin-6-yl]-3-phenylurea 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

1-cyclohexa-1,5-dien-1-yl-3-[9-[(2R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-oxo-7H-purin-6-yl]urea
CID 170584787
N-[9-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-8-oxo-7H-purin-6-yl]-2-phenoxyacetamide
CID 174181348
1-[9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]-3-phenylurea
CID 78064206
1-[9-[(2R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-8-oxo-7H-purin-6-yl]-3-methylurea
CID 174151055
1-[9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]-3-(4-methylphenyl)urea
CID 78070678
N-methylsulfanyl-[5-[6-(phenylcarbamoylamino)purin-9-yl]oxolan-2-yl]boronamidic acid
CID 143041547
N-(9-benzyl-8-oxo-7H-purin-6-yl)benzamide
CID 10450244
1-[9-[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-yl]-3-phenylurea
CID 67150697
9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-phenyl-7H-purin-8-one
CID 11035318
[(2R,3R,4R,5R)-5-(6-acetamido-8-oxo-7H-purin-9-yl)-3,4-dibenzoyloxyoxolan-2-yl]methoxy-N-[(2S)-pyrrolidine-2-carbonyl]phosphonamidic acid
CID 10580655
1-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-3-phenylurea
CID 15375899
[(2R,3R,4R,5R)-5-(6-acetamido-8-oxo-7H-purin-9-yl)-4-benzoyloxy-2-[[[di(propan-2-yl)amino]-(2-trimethylsilylethoxy)phosphanyl]oxymethyl]oxolan-3-yl] benzoate
CID 11193596

Frequently Asked Questions

What is the IUPAC name of 1-[9-[(2R)-5-(hydroxymethyl)-4-oxooxolan-2-yl]-8-oxo-7H-purin-6-yl]-3-phenylurea?
The IUPAC name of 1-[9-[(2R)-5-(hydroxymethyl)-4-oxooxolan-2-yl]-8-oxo-7H-purin-6-yl]-3-phenylurea (CID 170585253) is 1-[9-[(2R)-5-(hydroxymethyl)-4-oxooxolan-2-yl]-8-oxo-7H-purin-6-yl]-3-phenylurea.
What is the SMILES notation for 1-[9-[(2R)-5-(hydroxymethyl)-4-oxooxolan-2-yl]-8-oxo-7H-purin-6-yl]-3-phenylurea?
The canonical SMILES for 1-[9-[(2R)-5-(hydroxymethyl)-4-oxooxolan-2-yl]-8-oxo-7H-purin-6-yl]-3-phenylurea is O=C(Nc1ccccc1)Nc1ncnc2c1[nH]c(=O)n2[C@H]1CC(=O)C(CO)O1.
What is the InChIKey of 1-[9-[(2R)-5-(hydroxymethyl)-4-oxooxolan-2-yl]-8-oxo-7H-purin-6-yl]-3-phenylurea?
The InChIKey is AVFGKVZKSVLJFL-PIJUOVFKSA-N. The full InChI is InChI=1S/C17H16N6O5/c24-7-11-10(25)6-12(28-11)23-15-13(21-17(23)27)14(18-8-19-15)22-16(26)20-9-4-2-1-3-5-9/h1-5,8,11-12,24H,6-7H2,(H,21,27)(H2,18,19,20,22,26)/t11?,12-/m1/s1.
What are the key properties of 1-[9-[(2R)-5-(hydroxymethyl)-4-oxooxolan-2-yl]-8-oxo-7H-purin-6-yl]-3-phenylurea?
1-[9-[(2R)-5-(hydroxymethyl)-4-oxooxolan-2-yl]-8-oxo-7H-purin-6-yl]-3-phenylurea has a molecular weight of 384.35 g/mol, XLogP of 0.61, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-[(2R)-5-(hydroxymethyl)-4-oxooxolan-2-yl]-8-oxo-7H-purin-6-yl]-3-phenylurea is sourced from PubChem (CID 170585253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).