4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-propyloxolan-2-yl]pyrimidin-2-one

C12H18FN3O4 — CID 71621666

IUPAC4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-propyloxolan-2-yl]pyrimidin-2-one
SMILESCCC[C@]1(CO)O[C@@H](n2ccc(N)nc2=O)[C@H](F)[C@@H]1O
InChIInChI=1S/C12H18FN3O4/c1-2-4-12(6-17)9(18)8(13)10(20-12)16-5-3-7(14)15-11(16)19/h3,5,8-10,17-18H,2,4,6H2,1H3,(H2,14,15,19)/t8-,9+,10-,12-/m1/s1
InChIKeyVQCQIZNVOZJTBA-DTHBNOIPSA-N
MW287.29 g/mol
LogP-0.42
Rot. Bonds4

About 4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-propyloxolan-2-yl]pyrimidin-2-one

4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-propyloxolan-2-yl]pyrimidin-2-one (PubChem CID 71621666) has the molecular formula C12H18FN3O4 and a molecular weight of 287.29 g/mol. Its IUPAC name is 4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-propyloxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-propyloxolan-2-yl]pyrimidin-2-one
PubChem CID71621666
Molecular FormulaC12H18FN3O4
Molecular Weight287.29 g/mol
Exact Mass287.13
IUPAC Name4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-propyloxolan-2-yl]pyrimidin-2-one
SMILESCCC[C@]1(CO)O[C@@H](n2ccc(N)nc2=O)[C@H](F)[C@@H]1O
InChIInChI=1S/C12H18FN3O4/c1-2-4-12(6-17)9(18)8(13)10(20-12)16-5-3-7(14)15-11(16)19/h3,5,8-10,17-18H,2,4,6H2,1H3,(H2,14,15,19)/t8-,9+,10-,12-/m1/s1
InChIKeyVQCQIZNVOZJTBA-DTHBNOIPSA-N
XLogP-0.42
TPSA110.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-propyloxolan-2-yl]pyrimidin-2-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 4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-propyloxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-propyloxolan-2-yl]pyrimidin-2-one (CID 71621666) is 4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-propyloxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-propyloxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-propyloxolan-2-yl]pyrimidin-2-one is CCC[C@]1(CO)O[C@@H](n2ccc(N)nc2=O)[C@H](F)[C@@H]1O.
What is the InChIKey of 4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-propyloxolan-2-yl]pyrimidin-2-one?
The InChIKey is VQCQIZNVOZJTBA-DTHBNOIPSA-N. The full InChI is InChI=1S/C12H18FN3O4/c1-2-4-12(6-17)9(18)8(13)10(20-12)16-5-3-7(14)15-11(16)19/h3,5,8-10,17-18H,2,4,6H2,1H3,(H2,14,15,19)/t8-,9+,10-,12-/m1/s1.
What are the key properties of 4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-propyloxolan-2-yl]pyrimidin-2-one?
4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-propyloxolan-2-yl]pyrimidin-2-one has a molecular weight of 287.29 g/mol, XLogP of -0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-propyloxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 71621666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).