6-amino-5-fluoro-1-sulfanylpyrimidin-2-one

C4H4FN3OS — CID 141183904

IUPAC6-amino-5-fluoro-1-sulfanylpyrimidin-2-one
SMILESNc1c(F)cnc(=O)n1S
InChIInChI=1S/C4H4FN3OS/c5-2-1-7-4(9)8(10)3(2)6/h1,10H,6H2
InChIKeyWKGANTFOWBFCBF-UHFFFAOYSA-N
MW161.16 g/mol
LogP-0.34
Rot. Bonds

About 6-amino-5-fluoro-1-sulfanylpyrimidin-2-one

6-amino-5-fluoro-1-sulfanylpyrimidin-2-one (PubChem CID 141183904) has the molecular formula C4H4FN3OS and a molecular weight of 161.16 g/mol. Its IUPAC name is 6-amino-5-fluoro-1-sulfanylpyrimidin-2-one.

Molecular Properties

Compound Name6-amino-5-fluoro-1-sulfanylpyrimidin-2-one
PubChem CID141183904
Molecular FormulaC4H4FN3OS
Molecular Weight161.16 g/mol
Exact Mass161.01
IUPAC Name6-amino-5-fluoro-1-sulfanylpyrimidin-2-one
SMILESNc1c(F)cnc(=O)n1S
InChIInChI=1S/C4H4FN3OS/c5-2-1-7-4(9)8(10)3(2)6/h1,10H,6H2
InChIKeyWKGANTFOWBFCBF-UHFFFAOYSA-N
XLogP-0.34
TPSA60.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Flucytosine
CID 3366
(Thio)cytosine
CID 69885392
5-Fluoro-cytosine monohydrate
CID 129660715
6-(difluoroamino)-5-fluoro-1H-pyrimidin-2-one
CID 13166058
6-Amino-5-(fluoromethyl)pyrimidin-2(1H)-one
CID 22172510
6-Amino-5-fluoro-1-hydroxypyrimidin-2-one
CID 55287775
5-fluoro-4-imino-3-methyl-3,4-dihydropyrimidin-2(1H)-one
CID 71494961
5-fluoro-6-(methylideneamino)-1H-pyrimidin-2-one
CID 163778239
CID 172780881
CID 172780881
6-(ethylideneamino)-5-fluoro-1H-pyrimidin-2-one
CID 173502389
5-fluoro-6-isocyanato-1H-pyrimidin-2-one
CID 174252286
6-amino-5-fluoro-1H-pyrimidin-3-ium-2-one
CID 7164714

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-fluoro-1-sulfanylpyrimidin-2-one?
The IUPAC name of 6-amino-5-fluoro-1-sulfanylpyrimidin-2-one (CID 141183904) is 6-amino-5-fluoro-1-sulfanylpyrimidin-2-one.
What is the SMILES notation for 6-amino-5-fluoro-1-sulfanylpyrimidin-2-one?
The canonical SMILES for 6-amino-5-fluoro-1-sulfanylpyrimidin-2-one is Nc1c(F)cnc(=O)n1S.
What is the InChIKey of 6-amino-5-fluoro-1-sulfanylpyrimidin-2-one?
The InChIKey is WKGANTFOWBFCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4FN3OS/c5-2-1-7-4(9)8(10)3(2)6/h1,10H,6H2.
What are the key properties of 6-amino-5-fluoro-1-sulfanylpyrimidin-2-one?
6-amino-5-fluoro-1-sulfanylpyrimidin-2-one has a molecular weight of 161.16 g/mol, XLogP of -0.34, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-fluoro-1-sulfanylpyrimidin-2-one is sourced from PubChem (CID 141183904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).