1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-propan-2-yloxolan-2-yl]-2-methylidenepyrimidin-4-one

C13H19FN2O4 — CID 121430158

IUPAC1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-propan-2-yloxolan-2-yl]-2-methylidenepyrimidin-4-one
SMILESC=C1NC(=O)C=CN1[C@@H]1O[C@@](CO)(C(C)C)[C@@H](O)[C@@H]1F
InChIInChI=1S/C13H19FN2O4/c1-7(2)13(6-17)11(19)10(14)12(20-13)16-5-4-9(18)15-8(16)3/h4-5,7,10-12,17,19H,3,6H2,1-2H3,(H,15,18)/t10-,11-,12+,13-/m0/s1
InChIKeyJOYZDMUJNNINPA-RVMXOQNASA-N
MW286.30 g/mol
LogP-0.15
Rot. Bonds3

About 1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-propan-2-yloxolan-2-yl]-2-methylidenepyrimidin-4-one

1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-propan-2-yloxolan-2-yl]-2-methylidenepyrimidin-4-one (PubChem CID 121430158) has the molecular formula C13H19FN2O4 and a molecular weight of 286.30 g/mol. Its IUPAC name is 1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-propan-2-yloxolan-2-yl]-2-methylidenepyrimidin-4-one.

Molecular Properties

Compound Name1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-propan-2-yloxolan-2-yl]-2-methylidenepyrimidin-4-one
PubChem CID121430158
Molecular FormulaC13H19FN2O4
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-propan-2-yloxolan-2-yl]-2-methylidenepyrimidin-4-one
SMILESC=C1NC(=O)C=CN1[C@@H]1O[C@@](CO)(C(C)C)[C@@H](O)[C@@H]1F
InChIInChI=1S/C13H19FN2O4/c1-7(2)13(6-17)11(19)10(14)12(20-13)16-5-4-9(18)15-8(16)3/h4-5,7,10-12,17,19H,3,6H2,1-2H3,(H,15,18)/t10-,11-,12+,13-/m0/s1
InChIKeyJOYZDMUJNNINPA-RVMXOQNASA-N
XLogP-0.15
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-propan-2-yloxolan-2-yl]-2-methylidenepyrimidin-4-one?
The IUPAC name of 1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-propan-2-yloxolan-2-yl]-2-methylidenepyrimidin-4-one (CID 121430158) is 1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-propan-2-yloxolan-2-yl]-2-methylidenepyrimidin-4-one.
What is the SMILES notation for 1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-propan-2-yloxolan-2-yl]-2-methylidenepyrimidin-4-one?
The canonical SMILES for 1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-propan-2-yloxolan-2-yl]-2-methylidenepyrimidin-4-one is C=C1NC(=O)C=CN1[C@@H]1O[C@@](CO)(C(C)C)[C@@H](O)[C@@H]1F.
What is the InChIKey of 1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-propan-2-yloxolan-2-yl]-2-methylidenepyrimidin-4-one?
The InChIKey is JOYZDMUJNNINPA-RVMXOQNASA-N. The full InChI is InChI=1S/C13H19FN2O4/c1-7(2)13(6-17)11(19)10(14)12(20-13)16-5-4-9(18)15-8(16)3/h4-5,7,10-12,17,19H,3,6H2,1-2H3,(H,15,18)/t10-,11-,12+,13-/m0/s1.
What are the key properties of 1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-propan-2-yloxolan-2-yl]-2-methylidenepyrimidin-4-one?
1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-propan-2-yloxolan-2-yl]-2-methylidenepyrimidin-4-one has a molecular weight of 286.30 g/mol, XLogP of -0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-propan-2-yloxolan-2-yl]-2-methylidenepyrimidin-4-one is sourced from PubChem (CID 121430158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).