[(2R,5S)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-1,3-oxathiolan-2-yl]methanol

C9H12FN3O2S — CID 163912563

IUPAC[(2R,5S)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-1,3-oxathiolan-2-yl]methanol
SMILESC=C1N=C(N)C(F)=CN1[C@@H]1CS[C@H](CO)O1
InChIInChI=1S/C9H12FN3O2S/c1-5-12-9(11)6(10)2-13(5)7-4-16-8(3-14)15-7/h2,7-8,14H,1,3-4H2,(H2,11,12)/t7-,8+/m0/s1
InChIKeyQTKNZHGRLNTFBK-JGVFFNPUSA-N
MW245.28 g/mol
LogP0.35
Rot. Bonds2

About [(2R,5S)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-1,3-oxathiolan-2-yl]methanol

[(2R,5S)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-1,3-oxathiolan-2-yl]methanol (PubChem CID 163912563) has the molecular formula C9H12FN3O2S and a molecular weight of 245.28 g/mol. Its IUPAC name is [(2R,5S)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-1,3-oxathiolan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,5S)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-1,3-oxathiolan-2-yl]methanol
PubChem CID163912563
Molecular FormulaC9H12FN3O2S
Molecular Weight245.28 g/mol
Exact Mass245.06
IUPAC Name[(2R,5S)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-1,3-oxathiolan-2-yl]methanol
SMILESC=C1N=C(N)C(F)=CN1[C@@H]1CS[C@H](CO)O1
InChIInChI=1S/C9H12FN3O2S/c1-5-12-9(11)6(10)2-13(5)7-4-16-8(3-14)15-7/h2,7-8,14H,1,3-4H2,(H2,11,12)/t7-,8+/m0/s1
InChIKeyQTKNZHGRLNTFBK-JGVFFNPUSA-N
XLogP0.35
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(2R,5S)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-1,3-oxathiolan-2-yl]methanol with MolForge

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Related Compounds

4-amino-5-fluoro-1-[(2S,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one
CID 22858382
1-[(2R,5R)-3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]-5-fluoro-2-methylidenepyrimidin-4-amine
CID 159140478
4-amino-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-3-methyl-4H-pyrimidin-2-one
CID 163711216
4-amino-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one;phosphoric acid
CID 173006607
4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one phosphate
CID 56847966
sodium;4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one;hydride
CID 175228368
5-fluoro-1-[(2S,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione
CID 11967954
bis(4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one);sulfuric acid
CID 78322817
[(2S,5R)-5-(6-amino-3-oxido-2,4,5,6-tetrahydro-1,3-diazocin-1-yl)-1,3-oxathiolan-2-yl]methanol
CID 163775590
[5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl 2-acetyloxy-2-methylpropanoate
CID 20821635
2-amino-9-[(2R,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-1H-purin-6-one
CID 135457959
5-amino-3-[(2S,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-6H-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione
CID 137176980

Frequently Asked Questions

What is the IUPAC name of [(2R,5S)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-1,3-oxathiolan-2-yl]methanol?
The IUPAC name of [(2R,5S)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-1,3-oxathiolan-2-yl]methanol (CID 163912563) is [(2R,5S)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-1,3-oxathiolan-2-yl]methanol.
What is the SMILES notation for [(2R,5S)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-1,3-oxathiolan-2-yl]methanol?
The canonical SMILES for [(2R,5S)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-1,3-oxathiolan-2-yl]methanol is C=C1N=C(N)C(F)=CN1[C@@H]1CS[C@H](CO)O1.
What is the InChIKey of [(2R,5S)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-1,3-oxathiolan-2-yl]methanol?
The InChIKey is QTKNZHGRLNTFBK-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H12FN3O2S/c1-5-12-9(11)6(10)2-13(5)7-4-16-8(3-14)15-7/h2,7-8,14H,1,3-4H2,(H2,11,12)/t7-,8+/m0/s1.
What are the key properties of [(2R,5S)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-1,3-oxathiolan-2-yl]methanol?
[(2R,5S)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-1,3-oxathiolan-2-yl]methanol has a molecular weight of 245.28 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5S)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-1,3-oxathiolan-2-yl]methanol is sourced from PubChem (CID 163912563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).