1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one

C12H17FN2O4 — CID 118491141

IUPAC1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one
SMILESC=C1NC(=O)C=CN1[C@@H]1O[C@H](COC)[C@@H](O)[C@@]1(C)F
InChIInChI=1S/C12H17FN2O4/c1-7-14-9(16)4-5-15(7)11-12(2,13)10(17)8(19-11)6-18-3/h4-5,8,10-11,17H,1,6H2,2-3H3,(H,14,16)/t8-,10-,11-,12-/m1/s1
InChIKeyJEJVTKJTLRSKKK-HJQYOEGKSA-N
MW272.28 g/mol
LogP-0.14
Rot. Bonds3

About 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one

1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one (PubChem CID 118491141) has the molecular formula C12H17FN2O4 and a molecular weight of 272.28 g/mol. Its IUPAC name is 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one.

Molecular Properties

Compound Name1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one
PubChem CID118491141
Molecular FormulaC12H17FN2O4
Molecular Weight272.28 g/mol
Exact Mass272.12
IUPAC Name1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one
SMILESC=C1NC(=O)C=CN1[C@@H]1O[C@H](COC)[C@@H](O)[C@@]1(C)F
InChIInChI=1S/C12H17FN2O4/c1-7-14-9(16)4-5-15(7)11-12(2,13)10(17)8(19-11)6-18-3/h4-5,8,10-11,17H,1,6H2,2-3H3,(H,14,16)/t8-,10-,11-,12-/m1/s1
InChIKeyJEJVTKJTLRSKKK-HJQYOEGKSA-N
XLogP-0.14
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one?
The IUPAC name of 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one (CID 118491141) is 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one.
What is the SMILES notation for 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one?
The canonical SMILES for 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one is C=C1NC(=O)C=CN1[C@@H]1O[C@H](COC)[C@@H](O)[C@@]1(C)F.
What is the InChIKey of 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one?
The InChIKey is JEJVTKJTLRSKKK-HJQYOEGKSA-N. The full InChI is InChI=1S/C12H17FN2O4/c1-7-14-9(16)4-5-15(7)11-12(2,13)10(17)8(19-11)6-18-3/h4-5,8,10-11,17H,1,6H2,2-3H3,(H,14,16)/t8-,10-,11-,12-/m1/s1.
What are the key properties of 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one?
1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one has a molecular weight of 272.28 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one is sourced from PubChem (CID 118491141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).