4-amino-1-[(2R,3S,4R)-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one

C8H10FN3O3 — CID 66828366

IUPAC4-amino-1-[(2R,3S,4R)-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one
SMILESNc1ccn([C@@H]2OC[C@@H](O)[C@@H]2F)c(=O)n1
InChIInChI=1S/C8H10FN3O3/c9-6-4(13)3-15-7(6)12-2-1-5(10)11-8(12)14/h1-2,4,6-7,13H,3H2,(H2,10,11,14)/t4-,6+,7-/m1/s1
InChIKeyDVQYULUFGGKEBI-PRMYIZFSSA-N
MW215.18 g/mol
LogP-0.95
Rot. Bonds1

About 4-amino-1-[(2R,3S,4R)-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one

4-amino-1-[(2R,3S,4R)-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one (PubChem CID 66828366) has the molecular formula C8H10FN3O3 and a molecular weight of 215.18 g/mol. Its IUPAC name is 4-amino-1-[(2R,3S,4R)-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,3S,4R)-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one
PubChem CID66828366
Molecular FormulaC8H10FN3O3
Molecular Weight215.18 g/mol
Exact Mass215.07
IUPAC Name4-amino-1-[(2R,3S,4R)-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one
SMILESNc1ccn([C@@H]2OC[C@@H](O)[C@@H]2F)c(=O)n1
InChIInChI=1S/C8H10FN3O3/c9-6-4(13)3-15-7(6)12-2-1-5(10)11-8(12)14/h1-2,4,6-7,13H,3H2,(H2,10,11,14)/t4-,6+,7-/m1/s1
InChIKeyDVQYULUFGGKEBI-PRMYIZFSSA-N
XLogP-0.95
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.18
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,3S,4R)-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,3S,4R)-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one (CID 66828366) is 4-amino-1-[(2R,3S,4R)-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,3S,4R)-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,3S,4R)-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one is Nc1ccn([C@@H]2OC[C@@H](O)[C@@H]2F)c(=O)n1.
What is the InChIKey of 4-amino-1-[(2R,3S,4R)-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one?
The InChIKey is DVQYULUFGGKEBI-PRMYIZFSSA-N. The full InChI is InChI=1S/C8H10FN3O3/c9-6-4(13)3-15-7(6)12-2-1-5(10)11-8(12)14/h1-2,4,6-7,13H,3H2,(H2,10,11,14)/t4-,6+,7-/m1/s1.
What are the key properties of 4-amino-1-[(2R,3S,4R)-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one?
4-amino-1-[(2R,3S,4R)-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one has a molecular weight of 215.18 g/mol, XLogP of -0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,3S,4R)-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 66828366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).