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

C10H13N5O3 — CID 136663246

IUPAC8-amino-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
SMILESNc1nc2c(=O)[nH]cnc2n1[C@H]1CC[C@@H](CO)O1
InChIInChI=1S/C10H13N5O3/c11-10-14-7-8(12-4-13-9(7)17)15(10)6-2-1-5(3-16)18-6/h4-6,16H,1-3H2,(H2,11,14)(H,12,13,17)/t5-,6+/m0/s1
InChIKeyVVOVYKNWQKDEEI-NTSWFWBYSA-N
MW251.25 g/mol
LogP-0.63
Rot. Bonds2

About 8-amino-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one

8-amino-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one (PubChem CID 136663246) has the molecular formula C10H13N5O3 and a molecular weight of 251.25 g/mol. Its IUPAC name is 8-amino-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one.

Molecular Properties

Compound Name8-amino-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
PubChem CID136663246
Molecular FormulaC10H13N5O3
Molecular Weight251.25 g/mol
Exact Mass251.10
IUPAC Name8-amino-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
SMILESNc1nc2c(=O)[nH]cnc2n1[C@H]1CC[C@@H](CO)O1
InChIInChI=1S/C10H13N5O3/c11-10-14-7-8(12-4-13-9(7)17)15(10)6-2-1-5(3-16)18-6/h4-6,16H,1-3H2,(H2,11,14)(H,12,13,17)/t5-,6+/m0/s1
InChIKeyVVOVYKNWQKDEEI-NTSWFWBYSA-N
XLogP-0.63
TPSA119.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

9-[(2S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 137132957
8-amino-9-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 162785253
9-[5-(aminomethyl)oxolan-2-yl]-1H-purin-6-one
CID 146312165
5-fluoro-7-[5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 137299823
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
(2R)-2-amino-4-(hydroxyamino)-4-oxobutanoic acid;9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135483722
[(2R,3S,5R)-5-(8-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl 2-methylpropanoate
CID 136500038
9-[(6R)-6-(hydroxymethyl)-1,4-oxathian-2-yl]-1H-purin-6-one
CID 136805617
1,2-diamino-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]purin-6-one
CID 130402904
[(2S,5R)-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl acetate
CID 135565968
4-(hydroxymethyl)-8-methyl-3-oxa-1,7,8,10,13,15-hexazatetracyclo[7.7.0.02,6.011,16]hexadeca-9,11(16),14-trien-12-one
CID 135703690

Frequently Asked Questions

What is the IUPAC name of 8-amino-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one?
The IUPAC name of 8-amino-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one (CID 136663246) is 8-amino-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one.
What is the SMILES notation for 8-amino-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one?
The canonical SMILES for 8-amino-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one is Nc1nc2c(=O)[nH]cnc2n1[C@H]1CC[C@@H](CO)O1.
What is the InChIKey of 8-amino-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one?
The InChIKey is VVOVYKNWQKDEEI-NTSWFWBYSA-N. The full InChI is InChI=1S/C10H13N5O3/c11-10-14-7-8(12-4-13-9(7)17)15(10)6-2-1-5(3-16)18-6/h4-6,16H,1-3H2,(H2,11,14)(H,12,13,17)/t5-,6+/m0/s1.
What are the key properties of 8-amino-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one?
8-amino-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one has a molecular weight of 251.25 g/mol, XLogP of -0.63, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one is sourced from PubChem (CID 136663246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).