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

C8H6FN3O3S — CID 112598818

IUPAC5-fluoro-6-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-dione
SMILESCc1csc(-n2c(O)c(F)c(=O)[nH]c2=O)n1
InChIInChI=1S/C8H6FN3O3S/c1-3-2-16-8(10-3)12-6(14)4(9)5(13)11-7(12)15/h2,14H,1H3,(H,11,13,15)
InChIKeyAGTKYQFEFDDFLP-UHFFFAOYSA-N
MW243.22 g/mol
LogP0.14
Rot. Bonds1

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

5-fluoro-6-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-dione (PubChem CID 112598818) has the molecular formula C8H6FN3O3S and a molecular weight of 243.22 g/mol. Its IUPAC name is 5-fluoro-6-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-6-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-dione
PubChem CID112598818
Molecular FormulaC8H6FN3O3S
Molecular Weight243.22 g/mol
Exact Mass243.01
IUPAC Name5-fluoro-6-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-dione
SMILESCc1csc(-n2c(O)c(F)c(=O)[nH]c2=O)n1
InChIInChI=1S/C8H6FN3O3S/c1-3-2-16-8(10-3)12-6(14)4(9)5(13)11-7(12)15/h2,14H,1H3,(H,11,13,15)
InChIKeyAGTKYQFEFDDFLP-UHFFFAOYSA-N
XLogP0.14
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-(fluoromethyl)thiazol-2-yl)acetamide
CID 59293708
5-fluoro-4-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one
CID 139300200
2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 85602162
6-chloro-5-fluoro-3-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione
CID 104370655
5-Fluoro-6-hydroxy-1-(4-propan-2-yl-1,3-thiazol-2-yl)pyrimidine-2,4-dione
CID 112599850
5-Fluoro-6-hydroxy-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-dione
CID 112599973
1-(4-Tert-butyl-1,3-thiazol-2-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112600069
1-(4-Cyclopropyl-1,3-thiazol-2-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112600165
1-(4,5-Dimethyl-1,3-thiazol-2-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112600252
5-Fluoro-6-hydroxy-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-dione
CID 112600592
6-chloro-5-fluoro-3-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione
CID 113404560
2-[(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 3220552

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-6-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-dione (CID 112598818) is 5-fluoro-6-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-6-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-6-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-dione is Cc1csc(-n2c(O)c(F)c(=O)[nH]c2=O)n1.
What is the InChIKey of 5-fluoro-6-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-dione?
The InChIKey is AGTKYQFEFDDFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3O3S/c1-3-2-16-8(10-3)12-6(14)4(9)5(13)11-7(12)15/h2,14H,1H3,(H,11,13,15).
What are the key properties of 5-fluoro-6-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-dione?
5-fluoro-6-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-dione has a molecular weight of 243.22 g/mol, XLogP of 0.14, 1 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-(4-methyl-1,3-thiazol-2-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 112598818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).