6-amino-9-[(3S,5S)-5-(hydroxymethyl)oxolan-3-yl]-7H-purin-8-one

C10H13N5O3 — CID 10824622

IUPAC6-amino-9-[(3S,5S)-5-(hydroxymethyl)oxolan-3-yl]-7H-purin-8-one
SMILESNc1ncnc2c1[nH]c(=O)n2[C@@H]1CO[C@H](CO)C1
InChIInChI=1S/C10H13N5O3/c11-8-7-9(13-4-12-8)15(10(17)14-7)5-1-6(2-16)18-3-5/h4-6,16H,1-3H2,(H,14,17)(H2,11,12,13)/t5-,6-/m0/s1
InChIKeyFYDXBYYYQJNTCW-WDSKDSINSA-N
MW251.25 g/mol
LogP-0.98
Rot. Bonds2

About 6-amino-9-[(3S,5S)-5-(hydroxymethyl)oxolan-3-yl]-7H-purin-8-one

6-amino-9-[(3S,5S)-5-(hydroxymethyl)oxolan-3-yl]-7H-purin-8-one (PubChem CID 10824622) has the molecular formula C10H13N5O3 and a molecular weight of 251.25 g/mol. Its IUPAC name is 6-amino-9-[(3S,5S)-5-(hydroxymethyl)oxolan-3-yl]-7H-purin-8-one.

Molecular Properties

Compound Name6-amino-9-[(3S,5S)-5-(hydroxymethyl)oxolan-3-yl]-7H-purin-8-one
PubChem CID10824622
Molecular FormulaC10H13N5O3
Molecular Weight251.25 g/mol
Exact Mass251.10
IUPAC Name6-amino-9-[(3S,5S)-5-(hydroxymethyl)oxolan-3-yl]-7H-purin-8-one
SMILESNc1ncnc2c1[nH]c(=O)n2[C@@H]1CO[C@H](CO)C1
InChIInChI=1S/C10H13N5O3/c11-8-7-9(13-4-12-8)15(10(17)14-7)5-1-6(2-16)18-3-5/h4-6,16H,1-3H2,(H,14,17)(H2,11,12,13)/t5-,6-/m0/s1
InChIKeyFYDXBYYYQJNTCW-WDSKDSINSA-N
XLogP-0.98
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 ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-amino-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-8-thione
CID 14889121
[(2R,3S,5R)-5-(6-amino-8-oxo-7H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 11046252
9-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-amino-7H-purin-8-one
CID 14212369
6-amino-9-(azetidin-3-yl)-7H-purin-8-one;tert-butyl formate
CID 174684273
6-amino-9-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-8-thione
CID 57114714
6-amino-9-[(1R,6R,8R,9R,10S,15R,17R,18R)-17-(6-amino-8-oxo-7H-purin-9-yl)-3,9,12,18-tetrahydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]-7H-purin-8-one
CID 163447246
6-amino-9-(methylamino)-7H-purin-8-one
CID 174181604
tert-butyl (3S,4R)-4-(6-amino-8-oxo-7H-purin-9-yl)-3-fluoropiperidine-1-carboxylate
CID 175992095
(2S,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxan-3-ol
CID 10611714
6-chloro-9-[3-(methoxymethyl)cyclobutyl]-7H-purin-8-one
CID 146460566
[(2R,3R,4R,5R)-2-(6-amino-8-sulfanylidene-7H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] acetate
CID 56994260
tert-butyl (2S)-2-[(6-amino-8-oxo-7H-purin-9-yl)methyl]pyrrolidine-1-carboxylate
CID 86719295

Frequently Asked Questions

What is the IUPAC name of 6-amino-9-[(3S,5S)-5-(hydroxymethyl)oxolan-3-yl]-7H-purin-8-one?
The IUPAC name of 6-amino-9-[(3S,5S)-5-(hydroxymethyl)oxolan-3-yl]-7H-purin-8-one (CID 10824622) is 6-amino-9-[(3S,5S)-5-(hydroxymethyl)oxolan-3-yl]-7H-purin-8-one.
What is the SMILES notation for 6-amino-9-[(3S,5S)-5-(hydroxymethyl)oxolan-3-yl]-7H-purin-8-one?
The canonical SMILES for 6-amino-9-[(3S,5S)-5-(hydroxymethyl)oxolan-3-yl]-7H-purin-8-one is Nc1ncnc2c1[nH]c(=O)n2[C@@H]1CO[C@H](CO)C1.
What is the InChIKey of 6-amino-9-[(3S,5S)-5-(hydroxymethyl)oxolan-3-yl]-7H-purin-8-one?
The InChIKey is FYDXBYYYQJNTCW-WDSKDSINSA-N. The full InChI is InChI=1S/C10H13N5O3/c11-8-7-9(13-4-12-8)15(10(17)14-7)5-1-6(2-16)18-3-5/h4-6,16H,1-3H2,(H,14,17)(H2,11,12,13)/t5-,6-/m0/s1.
What are the key properties of 6-amino-9-[(3S,5S)-5-(hydroxymethyl)oxolan-3-yl]-7H-purin-8-one?
6-amino-9-[(3S,5S)-5-(hydroxymethyl)oxolan-3-yl]-7H-purin-8-one has a molecular weight of 251.25 g/mol, XLogP of -0.98, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-9-[(3S,5S)-5-(hydroxymethyl)oxolan-3-yl]-7H-purin-8-one is sourced from PubChem (CID 10824622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).