9-[(2S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one

C10H12N4O3 — CID 137132957

IUPAC9-[(2S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
SMILESO=c1[nH]cnc2c1ncn2[C@@H]1CCC(CO)O1
InChIInChI=1S/C10H12N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-7,15H,1-3H2,(H,11,12,16)/t6?,7-/m0/s1
InChIKeyBXZVVICBKDXVGW-MLWJPKLSSA-N
MW236.23 g/mol
LogP-0.21
Rot. Bonds2

About 9-[(2S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one

9-[(2S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one (PubChem CID 137132957) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 9-[(2S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one.

Molecular Properties

Compound Name9-[(2S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
PubChem CID137132957
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name9-[(2S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
SMILESO=c1[nH]cnc2c1ncn2[C@@H]1CCC(CO)O1
InChIInChI=1S/C10H12N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-7,15H,1-3H2,(H,11,12,16)/t6?,7-/m0/s1
InChIKeyBXZVVICBKDXVGW-MLWJPKLSSA-N
XLogP-0.21
TPSA93.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

9-[5-(aminomethyl)oxolan-2-yl]-1H-purin-6-one
CID 146312165
9-[4-(hydroxymethyl)oxetan-2-yl]-1H-purin-6-one
CID 135856505
9-[(2R,4S)-4-(hydroxymethyl)oxetan-2-yl]-1H-purin-6-one
CID 135508917
9-[(6R)-6-(hydroxymethyl)-1,4-oxathian-2-yl]-1H-purin-6-one
CID 136805617
9-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 136592210
(2R)-2-amino-4-(hydroxyamino)-4-oxobutanoic acid;9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135483722
[(2S,5R)-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl acetate
CID 135565968
8-amino-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 136663246
9-[(2R,5R)-2-(hydroxymethyl)-1,3-oxaselenolan-5-yl]-1H-purin-6-one
CID 136826771
5-fluoro-7-[5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 137299823
[(5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol
CID 135258304
2-cyclopropyl-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one;9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135508756

Frequently Asked Questions

What is the IUPAC name of 9-[(2S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one?
The IUPAC name of 9-[(2S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one (CID 137132957) is 9-[(2S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one.
What is the SMILES notation for 9-[(2S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one?
The canonical SMILES for 9-[(2S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one is O=c1[nH]cnc2c1ncn2[C@@H]1CCC(CO)O1.
What is the InChIKey of 9-[(2S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one?
The InChIKey is BXZVVICBKDXVGW-MLWJPKLSSA-N. The full InChI is InChI=1S/C10H12N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-7,15H,1-3H2,(H,11,12,16)/t6?,7-/m0/s1.
What are the key properties of 9-[(2S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one?
9-[(2S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one has a molecular weight of 236.23 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one is sourced from PubChem (CID 137132957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).