1-[(2R,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-4-fluorooxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one

C10H14FN3O5 — CID 22859290

IUPAC1-[(2R,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-4-fluorooxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one
SMILESO=c1nc(NO)ccn1[C@H]1C[C@H](F)[C@@H]([C@@H](O)CO)O1
InChIInChI=1S/C10H14FN3O5/c11-5-3-8(19-9(5)6(16)4-15)14-2-1-7(13-18)12-10(14)17/h1-2,5-6,8-9,15-16,18H,3-4H2,(H,12,13,17)/t5-,6-,8+,9-/m0/s1
InChIKeyQKXCCCXSSJAXNH-ITFKJWCVSA-N
MW275.24 g/mol
LogP-0.98
Rot. Bonds4

About 1-[(2R,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-4-fluorooxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one

1-[(2R,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-4-fluorooxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one (PubChem CID 22859290) has the molecular formula C10H14FN3O5 and a molecular weight of 275.24 g/mol. Its IUPAC name is 1-[(2R,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-4-fluorooxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one.

Molecular Properties

Compound Name1-[(2R,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-4-fluorooxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one
PubChem CID22859290
Molecular FormulaC10H14FN3O5
Molecular Weight275.24 g/mol
Exact Mass275.09
IUPAC Name1-[(2R,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-4-fluorooxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one
SMILESO=c1nc(NO)ccn1[C@H]1C[C@H](F)[C@@H]([C@@H](O)CO)O1
InChIInChI=1S/C10H14FN3O5/c11-5-3-8(19-9(5)6(16)4-15)14-2-1-7(13-18)12-10(14)17/h1-2,5-6,8-9,15-16,18H,3-4H2,(H,12,13,17)/t5-,6-,8+,9-/m0/s1
InChIKeyQKXCCCXSSJAXNH-ITFKJWCVSA-N
XLogP-0.98
TPSA116.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 5-0.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(2S,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one
CID 56624884
chloromethane;ethane;4-(hydroxyamino)-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 169252416
1-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one
CID 59035000
1-[(3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]-4-(methylamino)pyrimidin-2-one
CID 142053306
[5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2-amino-3-hydroxybutanoate;methanol
CID 156825372
[(2R,5R)-2-fluoro-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl dihydrogen phosphate
CID 164882388
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(2-hydroxy-1-phenylethyl)amino]pyrimidin-2-one
CID 100999002
N-[1-[(2S,4S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide
CID 7282363
1-[(2R,3R,4R,5R)-3-chloro-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one
CID 141473247
[(3Z,6aR,7R,9R)-7-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]-2,5-dioxo-6a,7,9,9a-tetrahydrofuro[3,4-b][1,4]dioxocin-9-yl]methyl (2R)-2-amino-3-hydroxypropanoate
CID 171724823
1-[(2S,3R,4S)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one
CID 174094847
[5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2,6-diaminohexanoate
CID 142604126

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-4-fluorooxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one?
The IUPAC name of 1-[(2R,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-4-fluorooxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one (CID 22859290) is 1-[(2R,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-4-fluorooxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one.
What is the SMILES notation for 1-[(2R,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-4-fluorooxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one?
The canonical SMILES for 1-[(2R,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-4-fluorooxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one is O=c1nc(NO)ccn1[C@H]1C[C@H](F)[C@@H]([C@@H](O)CO)O1.
What is the InChIKey of 1-[(2R,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-4-fluorooxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one?
The InChIKey is QKXCCCXSSJAXNH-ITFKJWCVSA-N. The full InChI is InChI=1S/C10H14FN3O5/c11-5-3-8(19-9(5)6(16)4-15)14-2-1-7(13-18)12-10(14)17/h1-2,5-6,8-9,15-16,18H,3-4H2,(H,12,13,17)/t5-,6-,8+,9-/m0/s1.
What are the key properties of 1-[(2R,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-4-fluorooxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one?
1-[(2R,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-4-fluorooxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one has a molecular weight of 275.24 g/mol, XLogP of -0.98, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-4-fluorooxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one is sourced from PubChem (CID 22859290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).