4-amino-1-[2-fluoro-3-hydroxy-1-(2-hydroxyethoxy)propyl]pyrimidin-2-one

C9H14FN3O4 — CID 123741792

IUPAC4-amino-1-[2-fluoro-3-hydroxy-1-(2-hydroxyethoxy)propyl]pyrimidin-2-one
SMILESNc1ccn(C(OCCO)C(F)CO)c(=O)n1
InChIInChI=1S/C9H14FN3O4/c10-6(5-15)8(17-4-3-14)13-2-1-7(11)12-9(13)16/h1-2,6,8,14-15H,3-5H2,(H2,11,12,16)
InChIKeyZIHQJMMHOASEDO-UHFFFAOYSA-N
MW247.23 g/mol
LogP-1.34
Rot. Bonds6

About 4-amino-1-[2-fluoro-3-hydroxy-1-(2-hydroxyethoxy)propyl]pyrimidin-2-one

4-amino-1-[2-fluoro-3-hydroxy-1-(2-hydroxyethoxy)propyl]pyrimidin-2-one (PubChem CID 123741792) has the molecular formula C9H14FN3O4 and a molecular weight of 247.23 g/mol. Its IUPAC name is 4-amino-1-[2-fluoro-3-hydroxy-1-(2-hydroxyethoxy)propyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[2-fluoro-3-hydroxy-1-(2-hydroxyethoxy)propyl]pyrimidin-2-one
PubChem CID123741792
Molecular FormulaC9H14FN3O4
Molecular Weight247.23 g/mol
Exact Mass247.10
IUPAC Name4-amino-1-[2-fluoro-3-hydroxy-1-(2-hydroxyethoxy)propyl]pyrimidin-2-one
SMILESNc1ccn(C(OCCO)C(F)CO)c(=O)n1
InChIInChI=1S/C9H14FN3O4/c10-6(5-15)8(17-4-3-14)13-2-1-7(11)12-9(13)16/h1-2,6,8,14-15H,3-5H2,(H2,11,12,16)
InChIKeyZIHQJMMHOASEDO-UHFFFAOYSA-N
XLogP-1.34
TPSA110.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 5-1.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[2-Hydroxy-1-(hydroxy methyl)ethoxy]methyl]cytosine
CID 343428
4-amino-1-[(2R,4R)-4-hydroxytetrahydrofuran-2-yl]pyrimidin-2-one
CID 54768283
beta-Erythrocytidine
CID 14443627
(6-(Hydroxymethyl)-1,4-dioxan-2-yl)-cytosine
CID 453165
4-Amino-1-(2-fluoro-3-hydroxypropyl)pyrimidin-2-one
CID 15006314
4-Amino-1-[5-(fluoromethyl)-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one
CID 351993
4-amino-1-[(1R)-1-(1,3-dihydroxypropan-2-yloxy)-2-fluoroethyl]pyrimidin-2-one
CID 9921210
4-Amino-1-[2,2-difluoro-1-(2-hydroxyethoxy)ethyl]pyrimidin-2-one
CID 15659075
4-Amino-1-[2,2,2-trifluoro-1-(2-hydroxyethoxy)ethyl]pyrimidin-2-one
CID 15659077
4-amino-1-[(2R,3R,4S,5S)-5-(fluoromethyl)-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one
CID 54171947
4-amino-1-[(2R,5S)-5-(fluoromethyl)-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one
CID 57301925
4-amino-1-[(2R,3S,4R)-3-fluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one
CID 66828366

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[2-fluoro-3-hydroxy-1-(2-hydroxyethoxy)propyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[2-fluoro-3-hydroxy-1-(2-hydroxyethoxy)propyl]pyrimidin-2-one (CID 123741792) is 4-amino-1-[2-fluoro-3-hydroxy-1-(2-hydroxyethoxy)propyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[2-fluoro-3-hydroxy-1-(2-hydroxyethoxy)propyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[2-fluoro-3-hydroxy-1-(2-hydroxyethoxy)propyl]pyrimidin-2-one is Nc1ccn(C(OCCO)C(F)CO)c(=O)n1.
What is the InChIKey of 4-amino-1-[2-fluoro-3-hydroxy-1-(2-hydroxyethoxy)propyl]pyrimidin-2-one?
The InChIKey is ZIHQJMMHOASEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O4/c10-6(5-15)8(17-4-3-14)13-2-1-7(11)12-9(13)16/h1-2,6,8,14-15H,3-5H2,(H2,11,12,16).
What are the key properties of 4-amino-1-[2-fluoro-3-hydroxy-1-(2-hydroxyethoxy)propyl]pyrimidin-2-one?
4-amino-1-[2-fluoro-3-hydroxy-1-(2-hydroxyethoxy)propyl]pyrimidin-2-one has a molecular weight of 247.23 g/mol, XLogP of -1.34, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[2-fluoro-3-hydroxy-1-(2-hydroxyethoxy)propyl]pyrimidin-2-one is sourced from PubChem (CID 123741792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).