5-fluoro-6-hydroxy-1-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-dione

C8H6FN3O3S — CID 112599897

IUPAC5-fluoro-6-hydroxy-1-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2nccs2)c(O)c1F
InChIInChI=1S/C8H6FN3O3S/c9-5-6(13)11-8(15)12(7(5)14)3-4-10-1-2-16-4/h1-2,14H,3H2,(H,11,13,15)
InChIKeyCCOVPRZYEJMMHH-UHFFFAOYSA-N
MW243.22 g/mol
LogP-0.11
Rot. Bonds2

About 5-fluoro-6-hydroxy-1-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-dione

5-fluoro-6-hydroxy-1-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-dione (PubChem CID 112599897) has the molecular formula C8H6FN3O3S and a molecular weight of 243.22 g/mol. Its IUPAC name is 5-fluoro-6-hydroxy-1-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-6-hydroxy-1-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-dione
PubChem CID112599897
Molecular FormulaC8H6FN3O3S
Molecular Weight243.22 g/mol
Exact Mass243.01
IUPAC Name5-fluoro-6-hydroxy-1-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2nccs2)c(O)c1F
InChIInChI=1S/C8H6FN3O3S/c9-5-6(13)11-8(15)12(7(5)14)3-4-10-1-2-16-4/h1-2,14H,3H2,(H,11,13,15)
InChIKeyCCOVPRZYEJMMHH-UHFFFAOYSA-N
XLogP-0.11
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-2,4-dioxo-N-(1,3-thiazol-2-yl)pyrimidine-1-carboxamide
CID 88642623
5-fluoro-4-hydroxy-2-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one
CID 168728235
6-chloro-5-fluoro-3-[1-(1,3-thiazol-2-yl)ethyl]-1H-pyrimidine-2,4-dione
CID 104369428
6-chloro-5-fluoro-3-[1-(1,3-thiazol-2-yl)propyl]-1H-pyrimidine-2,4-dione
CID 104369489
6-chloro-5-fluoro-3-(1,3-thiazol-2-ylmethyl)-1H-pyrimidine-2,4-dione
CID 104371749
6-chloro-5-fluoro-3-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrimidine-2,4-dione
CID 104372487
6-chloro-5-fluoro-3-[2-(1,3-thiazol-2-yl)propyl]-1H-pyrimidine-2,4-dione
CID 105910559
5-Fluoro-6-hydroxy-1-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-dione
CID 112600598
5-Fluoro-6-hydroxy-1-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-dione
CID 112600989
5-Fluoro-6-hydroxy-1-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-dione
CID 112601074
5-Fluoro-6-hydroxy-1-[2-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-dione
CID 114126874
5-Fluoro-6-hydroxy-1-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-dione
CID 114126881

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-hydroxy-1-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-6-hydroxy-1-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-dione (CID 112599897) is 5-fluoro-6-hydroxy-1-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-6-hydroxy-1-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-6-hydroxy-1-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(Cc2nccs2)c(O)c1F.
What is the InChIKey of 5-fluoro-6-hydroxy-1-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is CCOVPRZYEJMMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3O3S/c9-5-6(13)11-8(15)12(7(5)14)3-4-10-1-2-16-4/h1-2,14H,3H2,(H,11,13,15).
What are the key properties of 5-fluoro-6-hydroxy-1-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-dione?
5-fluoro-6-hydroxy-1-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 243.22 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-hydroxy-1-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 112599897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).