[(2R,3S,4R,5R)-3-fluoro-4-methyl-5-(2-oxo-1,6-dihydropyrimidin-3-yl)oxolan-2-yl]methyl acetate

C12H17FN2O4 — CID 144985538

IUPAC[(2R,3S,4R,5R)-3-fluoro-4-methyl-5-(2-oxo-1,6-dihydropyrimidin-3-yl)oxolan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@@H](N2C=CCNC2=O)[C@@H](C)[C@@H]1F
InChIInChI=1S/C12H17FN2O4/c1-7-10(13)9(6-18-8(2)16)19-11(7)15-5-3-4-14-12(15)17/h3,5,7,9-11H,4,6H2,1-2H3,(H,14,17)/t7-,9+,10-,11+/m0/s1
InChIKeyTVFYPBBXBKYFJE-CDEVMZEPSA-N
MW272.28 g/mol
LogP0.79
Rot. Bonds3

About [(2R,3S,4R,5R)-3-fluoro-4-methyl-5-(2-oxo-1,6-dihydropyrimidin-3-yl)oxolan-2-yl]methyl acetate

[(2R,3S,4R,5R)-3-fluoro-4-methyl-5-(2-oxo-1,6-dihydropyrimidin-3-yl)oxolan-2-yl]methyl acetate (PubChem CID 144985538) has the molecular formula C12H17FN2O4 and a molecular weight of 272.28 g/mol. Its IUPAC name is [(2R,3S,4R,5R)-3-fluoro-4-methyl-5-(2-oxo-1,6-dihydropyrimidin-3-yl)oxolan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3S,4R,5R)-3-fluoro-4-methyl-5-(2-oxo-1,6-dihydropyrimidin-3-yl)oxolan-2-yl]methyl acetate
PubChem CID144985538
Molecular FormulaC12H17FN2O4
Molecular Weight272.28 g/mol
Exact Mass272.12
IUPAC Name[(2R,3S,4R,5R)-3-fluoro-4-methyl-5-(2-oxo-1,6-dihydropyrimidin-3-yl)oxolan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@@H](N2C=CCNC2=O)[C@@H](C)[C@@H]1F
InChIInChI=1S/C12H17FN2O4/c1-7-10(13)9(6-18-8(2)16)19-11(7)15-5-3-4-14-12(15)17/h3,5,7,9-11H,4,6H2,1-2H3,(H,14,17)/t7-,9+,10-,11+/m0/s1
InChIKeyTVFYPBBXBKYFJE-CDEVMZEPSA-N
XLogP0.79
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R,3S,4R,5R)-3-fluoro-4-methyl-5-(2-oxo-1,6-dihydropyrimidin-3-yl)oxolan-2-yl]methyl acetate with MolForge

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Related Compounds

[3-fluoro-5-(2-oxo-1,6-dihydropyrimidin-3-yl)oxolan-2-yl]methyl acetate
CID 123210695
[(1S,3R,3aR,7aS)-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)-1,3,3a,4,7,7a-hexahydro-2-benzofuran-1-yl]methyl acetate
CID 25268665
[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(5-fluoro-6-hydroxy-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl acetate
CID 15216961
[(2R,3S,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl acetate
CID 14530807
[(2R,3R,4R,5R,6S)-4,5,6-triacetyloxy-3-fluorooxan-2-yl]methyl acetate
CID 102239836
[(3S,4S,6S)-6-tert-butyl-5-fluoro-3,4-dimethyloxan-2-yl]methyl acetate
CID 159163704
[(3R,6S)-4,5,6-triacetyloxy-3-fluorooxan-2-yl]methyl acetate
CID 134850004
ethane;(4-fluoro-3-methyl-5-oxooxolan-2-yl)methyl acetate;formaldehyde
CID 143726042
[(2R,3S,4R,5R,6R)-4,5,6-triacetyloxy-3-fluorooxan-2-yl]methyl acetate
CID 22870722
(3-acetyloxy-6-bromo-4-fluoro-5-methyloxan-2-yl)methyl acetate
CID 58981665
[(2R,3S,4S,5S)-3-acetyloxy-4,5-dimethyloxolan-2-yl]methyl acetate
CID 58159411
(3-fluoro-5-methoxy-4-methyloxolan-2-yl)methyl benzoate
CID 123810467

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5R)-3-fluoro-4-methyl-5-(2-oxo-1,6-dihydropyrimidin-3-yl)oxolan-2-yl]methyl acetate?
The IUPAC name of [(2R,3S,4R,5R)-3-fluoro-4-methyl-5-(2-oxo-1,6-dihydropyrimidin-3-yl)oxolan-2-yl]methyl acetate (CID 144985538) is [(2R,3S,4R,5R)-3-fluoro-4-methyl-5-(2-oxo-1,6-dihydropyrimidin-3-yl)oxolan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3S,4R,5R)-3-fluoro-4-methyl-5-(2-oxo-1,6-dihydropyrimidin-3-yl)oxolan-2-yl]methyl acetate?
The canonical SMILES for [(2R,3S,4R,5R)-3-fluoro-4-methyl-5-(2-oxo-1,6-dihydropyrimidin-3-yl)oxolan-2-yl]methyl acetate is CC(=O)OC[C@H]1O[C@@H](N2C=CCNC2=O)[C@@H](C)[C@@H]1F.
What is the InChIKey of [(2R,3S,4R,5R)-3-fluoro-4-methyl-5-(2-oxo-1,6-dihydropyrimidin-3-yl)oxolan-2-yl]methyl acetate?
The InChIKey is TVFYPBBXBKYFJE-CDEVMZEPSA-N. The full InChI is InChI=1S/C12H17FN2O4/c1-7-10(13)9(6-18-8(2)16)19-11(7)15-5-3-4-14-12(15)17/h3,5,7,9-11H,4,6H2,1-2H3,(H,14,17)/t7-,9+,10-,11+/m0/s1.
What are the key properties of [(2R,3S,4R,5R)-3-fluoro-4-methyl-5-(2-oxo-1,6-dihydropyrimidin-3-yl)oxolan-2-yl]methyl acetate?
[(2R,3S,4R,5R)-3-fluoro-4-methyl-5-(2-oxo-1,6-dihydropyrimidin-3-yl)oxolan-2-yl]methyl acetate has a molecular weight of 272.28 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,5R)-3-fluoro-4-methyl-5-(2-oxo-1,6-dihydropyrimidin-3-yl)oxolan-2-yl]methyl acetate is sourced from PubChem (CID 144985538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).