4-amino-1-(4-fluoro-1,3-dioxolan-2-yl)pyrimidin-2-one

C7H8FN3O3 — CID 91595392

IUPAC4-amino-1-(4-fluoro-1,3-dioxolan-2-yl)pyrimidin-2-one
SMILESNc1ccn(C2OCC(F)O2)c(=O)n1
InChIInChI=1S/C7H8FN3O3/c8-4-3-13-7(14-4)11-2-1-5(9)10-6(11)12/h1-2,4,7H,3H2,(H2,9,10,12)
InChIKeyFFASXPZGSCDKKU-UHFFFAOYSA-N
MW201.16 g/mol
LogP-0.38
Rot. Bonds1

About 4-amino-1-(4-fluoro-1,3-dioxolan-2-yl)pyrimidin-2-one

4-amino-1-(4-fluoro-1,3-dioxolan-2-yl)pyrimidin-2-one (PubChem CID 91595392) has the molecular formula C7H8FN3O3 and a molecular weight of 201.16 g/mol. Its IUPAC name is 4-amino-1-(4-fluoro-1,3-dioxolan-2-yl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-(4-fluoro-1,3-dioxolan-2-yl)pyrimidin-2-one
PubChem CID91595392
Molecular FormulaC7H8FN3O3
Molecular Weight201.16 g/mol
Exact Mass201.05
IUPAC Name4-amino-1-(4-fluoro-1,3-dioxolan-2-yl)pyrimidin-2-one
SMILESNc1ccn(C2OCC(F)O2)c(=O)n1
InChIInChI=1S/C7H8FN3O3/c8-4-3-13-7(14-4)11-2-1-5(9)10-6(11)12/h1-2,4,7H,3H2,(H2,9,10,12)
InChIKeyFFASXPZGSCDKKU-UHFFFAOYSA-N
XLogP-0.38
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.16
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-1-[(2R)-4-fluoro-5-methylideneoxolan-2-yl]pyrimidin-2-one
CID 57131518
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 54100591
4-amino-1-[(2R,4R)-4-fluoro-4-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 101384097
4-amino-1-(3-bromooxolan-2-yl)pyrimidin-2-one
CID 130156369
[(2R,3R,5R)-5-(4-(15N)azanyl-2-oxo(2,4,5,6-13C4,1,3-15N2)pyrimidin-1-yl)-3,4-dihydroxy(2,3,4,5-13C4)oxolan-2-yl](113C)methyl dihydrogen phosphate
CID 169494410
[(4S)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 171699509
4-amino-1-[(2R,3S,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 59795629
4-amino-1-[(2S,3S,5R)-3-fluoro-5-(hydroxymethyl)-4-methylideneoxolan-2-yl]pyrimidin-2-one
CID 53250459
4-amino-1-[(3S,6S)-6-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]pyrimidin-2-one
CID 10751559
4-amino-1-[2-(oxan-2-yloxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one
CID 59035820
4-(15N)azanyl-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 10586353
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]pyrimidin-2-one
CID 13188950

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-fluoro-1,3-dioxolan-2-yl)pyrimidin-2-one?
The IUPAC name of 4-amino-1-(4-fluoro-1,3-dioxolan-2-yl)pyrimidin-2-one (CID 91595392) is 4-amino-1-(4-fluoro-1,3-dioxolan-2-yl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-(4-fluoro-1,3-dioxolan-2-yl)pyrimidin-2-one?
The canonical SMILES for 4-amino-1-(4-fluoro-1,3-dioxolan-2-yl)pyrimidin-2-one is Nc1ccn(C2OCC(F)O2)c(=O)n1.
What is the InChIKey of 4-amino-1-(4-fluoro-1,3-dioxolan-2-yl)pyrimidin-2-one?
The InChIKey is FFASXPZGSCDKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN3O3/c8-4-3-13-7(14-4)11-2-1-5(9)10-6(11)12/h1-2,4,7H,3H2,(H2,9,10,12).
What are the key properties of 4-amino-1-(4-fluoro-1,3-dioxolan-2-yl)pyrimidin-2-one?
4-amino-1-(4-fluoro-1,3-dioxolan-2-yl)pyrimidin-2-one has a molecular weight of 201.16 g/mol, XLogP of -0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-fluoro-1,3-dioxolan-2-yl)pyrimidin-2-one is sourced from PubChem (CID 91595392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).