1-[(2R,4S,5S)-5-[(S)-chloro(hydroxy)methyl]-4-fluorooxolan-2-yl]pyrimidine-2,4-dione

C9H10ClFN2O4 — CID 54367159

IUPAC1-[(2R,4S,5S)-5-[(S)-chloro(hydroxy)methyl]-4-fluorooxolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1ccn([C@H]2C[C@H](F)[C@@H]([C@@H](O)Cl)O2)c(=O)[nH]1
InChIInChI=1S/C9H10ClFN2O4/c10-8(15)7-4(11)3-6(17-7)13-2-1-5(14)12-9(13)16/h1-2,4,6-8,15H,3H2,(H,12,14,16)/t4-,6+,7-,8+/m0/s1
InChIKeyUQOYCSGXXQXTSL-VXUIKNBNSA-N
MW264.64 g/mol
LogP-0.28
Rot. Bonds2

About 1-[(2R,4S,5S)-5-[(S)-chloro(hydroxy)methyl]-4-fluorooxolan-2-yl]pyrimidine-2,4-dione

1-[(2R,4S,5S)-5-[(S)-chloro(hydroxy)methyl]-4-fluorooxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 54367159) has the molecular formula C9H10ClFN2O4 and a molecular weight of 264.64 g/mol. Its IUPAC name is 1-[(2R,4S,5S)-5-[(S)-chloro(hydroxy)methyl]-4-fluorooxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,4S,5S)-5-[(S)-chloro(hydroxy)methyl]-4-fluorooxolan-2-yl]pyrimidine-2,4-dione
PubChem CID54367159
Molecular FormulaC9H10ClFN2O4
Molecular Weight264.64 g/mol
Exact Mass264.03
IUPAC Name1-[(2R,4S,5S)-5-[(S)-chloro(hydroxy)methyl]-4-fluorooxolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1ccn([C@H]2C[C@H](F)[C@@H]([C@@H](O)Cl)O2)c(=O)[nH]1
InChIInChI=1S/C9H10ClFN2O4/c10-8(15)7-4(11)3-6(17-7)13-2-1-5(14)12-9(13)16/h1-2,4,6-8,15H,3H2,(H,12,14,16)/t4-,6+,7-,8+/m0/s1
InChIKeyUQOYCSGXXQXTSL-VXUIKNBNSA-N
XLogP-0.28
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.64
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[(2R,5S)-5-[chloro(hydroxy)methyl]-4-fluorooxolan-2-yl]pyrimidine-2,4-dione
CID 67732012
1-[(2R,5R)-4-fluoro-5-[1-hydroxy-2-(4-methoxyphenyl)-2-oxoethyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 67647949
1-[(2R,4S)-4-(hydroxymethyl)oxetan-2-yl]pyrimidine-2,4-dione
CID 57243350
1-[(2R,4R,5R)-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 70953347
1-[(2R,5R)-4-chloro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 67928982
[(2R,3R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-fluorooxolan-2-yl]methyl benzoate
CID 96884537
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)(4,5-13C2)oxolan-2-yl]pyrimidine-2,4-dione
CID 11183813
1-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 14562102
5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolane-2-carbaldehyde;iridium
CID 169252384
1-[(3R,3aR,5R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]pyrimidine-2,4-dione
CID 5326138
1-[(2R,4R,5S)-5-(hydroxymethyl)-4-(trifluoromethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 10989600
1-[(2R,4S,5S)-5-(hydroxymethyl)-4-(trifluoromethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 10612740

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S,5S)-5-[(S)-chloro(hydroxy)methyl]-4-fluorooxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,4S,5S)-5-[(S)-chloro(hydroxy)methyl]-4-fluorooxolan-2-yl]pyrimidine-2,4-dione (CID 54367159) is 1-[(2R,4S,5S)-5-[(S)-chloro(hydroxy)methyl]-4-fluorooxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,4S,5S)-5-[(S)-chloro(hydroxy)methyl]-4-fluorooxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,4S,5S)-5-[(S)-chloro(hydroxy)methyl]-4-fluorooxolan-2-yl]pyrimidine-2,4-dione is O=c1ccn([C@H]2C[C@H](F)[C@@H]([C@@H](O)Cl)O2)c(=O)[nH]1.
What is the InChIKey of 1-[(2R,4S,5S)-5-[(S)-chloro(hydroxy)methyl]-4-fluorooxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is UQOYCSGXXQXTSL-VXUIKNBNSA-N. The full InChI is InChI=1S/C9H10ClFN2O4/c10-8(15)7-4(11)3-6(17-7)13-2-1-5(14)12-9(13)16/h1-2,4,6-8,15H,3H2,(H,12,14,16)/t4-,6+,7-,8+/m0/s1.
What are the key properties of 1-[(2R,4S,5S)-5-[(S)-chloro(hydroxy)methyl]-4-fluorooxolan-2-yl]pyrimidine-2,4-dione?
1-[(2R,4S,5S)-5-[(S)-chloro(hydroxy)methyl]-4-fluorooxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 264.64 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S,5S)-5-[(S)-chloro(hydroxy)methyl]-4-fluorooxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 54367159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).