4-amino-1-(3-fluoro-5-methylthiolan-2-yl)pyrimidin-2-one

C9H12FN3OS — CID 145072910

IUPAC4-amino-1-(3-fluoro-5-methylthiolan-2-yl)pyrimidin-2-one
SMILESCC1CC(F)C(n2ccc(N)nc2=O)S1
InChIInChI=1S/C9H12FN3OS/c1-5-4-6(10)8(15-5)13-3-2-7(11)12-9(13)14/h2-3,5-6,8H,4H2,1H3,(H2,11,12,14)
InChIKeyVZWNRFJXMCACJT-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.19
Rot. Bonds1

About 4-amino-1-(3-fluoro-5-methylthiolan-2-yl)pyrimidin-2-one

4-amino-1-(3-fluoro-5-methylthiolan-2-yl)pyrimidin-2-one (PubChem CID 145072910) has the molecular formula C9H12FN3OS and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-amino-1-(3-fluoro-5-methylthiolan-2-yl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-(3-fluoro-5-methylthiolan-2-yl)pyrimidin-2-one
PubChem CID145072910
Molecular FormulaC9H12FN3OS
Molecular Weight229.28 g/mol
Exact Mass229.07
IUPAC Name4-amino-1-(3-fluoro-5-methylthiolan-2-yl)pyrimidin-2-one
SMILESCC1CC(F)C(n2ccc(N)nc2=O)S1
InChIInChI=1S/C9H12FN3OS/c1-5-4-6(10)8(15-5)13-3-2-7(11)12-9(13)14/h2-3,5-6,8H,4H2,1H3,(H2,11,12,14)
InChIKeyVZWNRFJXMCACJT-UHFFFAOYSA-N
XLogP1.19
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[[(2S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluorothiolan-2-yl]methoxy-hydroxyphosphoryl]amino]propanoic acid
CID 145072884
4-amino-1-[(2R,3S,5S)-3-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidin-2-one
CID 155736143
4-amino-1-[3-methyl-5-(phenylmethoxymethyl)thiolan-2-yl]pyrimidin-2-one
CID 144905769
4-amino-1-[(2S,3R,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidin-2-one
CID 57240138
4-amino-1-[(2R,3S,4S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidin-2-one
CID 145072904
4-amino-1-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidin-2-one
CID 11108044
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]pyrimidin-2-one
CID 13188950
[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-3-hydroxythiolan-2-yl]methyl [(2R,3S,5S)-2-(hydroxymethyl)-5-methyloxolan-3-yl] hydrogen phosphate
CID 167592048
4-amino-1-[(2R)-4-fluoro-5-methylideneoxolan-2-yl]pyrimidin-2-one
CID 57131518
4-amino-1-(4-fluoro-1,3-dioxolan-2-yl)pyrimidin-2-one
CID 91595392
4-amino-1-[(2R,3S,4S,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)thiolan-2-yl]pyrimidin-2-one
CID 11398434
1-[(4aR,7S,7aS)-7-fluoro-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-thieno[3,2-d][1,3,2]dioxaphosphinin-6-yl]-4-aminopyrimidin-2-one
CID 130394189

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-fluoro-5-methylthiolan-2-yl)pyrimidin-2-one?
The IUPAC name of 4-amino-1-(3-fluoro-5-methylthiolan-2-yl)pyrimidin-2-one (CID 145072910) is 4-amino-1-(3-fluoro-5-methylthiolan-2-yl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-(3-fluoro-5-methylthiolan-2-yl)pyrimidin-2-one?
The canonical SMILES for 4-amino-1-(3-fluoro-5-methylthiolan-2-yl)pyrimidin-2-one is CC1CC(F)C(n2ccc(N)nc2=O)S1.
What is the InChIKey of 4-amino-1-(3-fluoro-5-methylthiolan-2-yl)pyrimidin-2-one?
The InChIKey is VZWNRFJXMCACJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3OS/c1-5-4-6(10)8(15-5)13-3-2-7(11)12-9(13)14/h2-3,5-6,8H,4H2,1H3,(H2,11,12,14).
What are the key properties of 4-amino-1-(3-fluoro-5-methylthiolan-2-yl)pyrimidin-2-one?
4-amino-1-(3-fluoro-5-methylthiolan-2-yl)pyrimidin-2-one has a molecular weight of 229.28 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-fluoro-5-methylthiolan-2-yl)pyrimidin-2-one is sourced from PubChem (CID 145072910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).