9-[(2R,4S)-5-(fluoromethylidene)-4-hydroxyoxolan-2-yl]-1H-purin-6-one

C10H9FN4O3 — CID 173342150

IUPAC9-[(2R,4S)-5-(fluoromethylidene)-4-hydroxyoxolan-2-yl]-1H-purin-6-one
SMILESO=c1[nH]cnc2c1ncn2[C@H]1C[C@H](O)C(=CF)O1
InChIInChI=1S/C10H9FN4O3/c11-2-6-5(16)1-7(18-6)15-4-14-8-9(15)12-3-13-10(8)17/h2-5,7,16H,1H2,(H,12,13,17)/t5-,7+/m0/s1
InChIKeyOIMNINZSJXGYDV-CAHLUQPWSA-N
MW252.21 g/mol
LogP0.21
Rot. Bonds1

About 9-[(2R,4S)-5-(fluoromethylidene)-4-hydroxyoxolan-2-yl]-1H-purin-6-one

9-[(2R,4S)-5-(fluoromethylidene)-4-hydroxyoxolan-2-yl]-1H-purin-6-one (PubChem CID 173342150) has the molecular formula C10H9FN4O3 and a molecular weight of 252.21 g/mol. Its IUPAC name is 9-[(2R,4S)-5-(fluoromethylidene)-4-hydroxyoxolan-2-yl]-1H-purin-6-one.

Molecular Properties

Compound Name9-[(2R,4S)-5-(fluoromethylidene)-4-hydroxyoxolan-2-yl]-1H-purin-6-one
PubChem CID173342150
Molecular FormulaC10H9FN4O3
Molecular Weight252.21 g/mol
Exact Mass252.07
IUPAC Name9-[(2R,4S)-5-(fluoromethylidene)-4-hydroxyoxolan-2-yl]-1H-purin-6-one
SMILESO=c1[nH]cnc2c1ncn2[C@H]1C[C@H](O)C(=CF)O1
InChIInChI=1S/C10H9FN4O3/c11-2-6-5(16)1-7(18-6)15-4-14-8-9(15)12-3-13-10(8)17/h2-5,7,16H,1H2,(H,12,13,17)/t5-,7+/m0/s1
InChIKeyOIMNINZSJXGYDV-CAHLUQPWSA-N
XLogP0.21
TPSA93.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.21
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-9-[(2R,4S)-5-(fluoromethylidene)-4-hydroxyoxolan-2-yl]-1H-purin-6-one
CID 173342200
9-[(2R,4S)-4-(hydroxymethyl)oxetan-2-yl]-1H-purin-6-one
CID 135508917
9-[4-(hydroxymethyl)oxetan-2-yl]-1H-purin-6-one
CID 135856505
9-[(1R,2R)-2-hydroxycyclohexyl]-1H-purin-6-one
CID 135431287
2-amino-9-[(2R,4S)-5-(chloromethylidene)-4-hydroxyoxolan-2-yl]-1H-purin-6-one
CID 173342620
9-(2,3,4-trihydroxycyclopentyl)-1H-purin-6-one;hydrate
CID 139665696
9-[(2R,5R)-2-(hydroxymethyl)-1,3-oxaselenolan-5-yl]-1H-purin-6-one
CID 136826771
9-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]-1H-purin-6-one
CID 137217905
9-[(2S)-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 137132957
9-[(2R,5R)-5-(azidomethyl)-4-hydroxyoxolan-2-yl]-1H-purin-6-one
CID 172642337
[(2R,3S,5R)-3-hydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 135398614
9-[(2R,4S,5R)-5-ethynyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 135439474

Frequently Asked Questions

What is the IUPAC name of 9-[(2R,4S)-5-(fluoromethylidene)-4-hydroxyoxolan-2-yl]-1H-purin-6-one?
The IUPAC name of 9-[(2R,4S)-5-(fluoromethylidene)-4-hydroxyoxolan-2-yl]-1H-purin-6-one (CID 173342150) is 9-[(2R,4S)-5-(fluoromethylidene)-4-hydroxyoxolan-2-yl]-1H-purin-6-one.
What is the SMILES notation for 9-[(2R,4S)-5-(fluoromethylidene)-4-hydroxyoxolan-2-yl]-1H-purin-6-one?
The canonical SMILES for 9-[(2R,4S)-5-(fluoromethylidene)-4-hydroxyoxolan-2-yl]-1H-purin-6-one is O=c1[nH]cnc2c1ncn2[C@H]1C[C@H](O)C(=CF)O1.
What is the InChIKey of 9-[(2R,4S)-5-(fluoromethylidene)-4-hydroxyoxolan-2-yl]-1H-purin-6-one?
The InChIKey is OIMNINZSJXGYDV-CAHLUQPWSA-N. The full InChI is InChI=1S/C10H9FN4O3/c11-2-6-5(16)1-7(18-6)15-4-14-8-9(15)12-3-13-10(8)17/h2-5,7,16H,1H2,(H,12,13,17)/t5-,7+/m0/s1.
What are the key properties of 9-[(2R,4S)-5-(fluoromethylidene)-4-hydroxyoxolan-2-yl]-1H-purin-6-one?
9-[(2R,4S)-5-(fluoromethylidene)-4-hydroxyoxolan-2-yl]-1H-purin-6-one has a molecular weight of 252.21 g/mol, XLogP of 0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2R,4S)-5-(fluoromethylidene)-4-hydroxyoxolan-2-yl]-1H-purin-6-one is sourced from PubChem (CID 173342150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).