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

C9H8FN3O3S — CID 112600708

IUPAC5-fluoro-6-hydroxy-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CCc2cscn2)c(O)c1F
InChIInChI=1S/C9H8FN3O3S/c10-6-7(14)12-9(16)13(8(6)15)2-1-5-3-17-4-11-5/h3-4,15H,1-2H2,(H,12,14,16)
InChIKeyIEDZHCINWHUJGY-UHFFFAOYSA-N
MW257.25 g/mol
LogP0.08
Rot. Bonds3

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

5-fluoro-6-hydroxy-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-dione (PubChem CID 112600708) has the molecular formula C9H8FN3O3S and a molecular weight of 257.25 g/mol. Its IUPAC name is 5-fluoro-6-hydroxy-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-6-hydroxy-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-dione
PubChem CID112600708
Molecular FormulaC9H8FN3O3S
Molecular Weight257.25 g/mol
Exact Mass257.03
IUPAC Name5-fluoro-6-hydroxy-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CCc2cscn2)c(O)c1F
InChIInChI=1S/C9H8FN3O3S/c10-6-7(14)12-9(16)13(8(6)15)2-1-5-3-17-4-11-5/h3-4,15H,1-2H2,(H,12,14,16)
InChIKeyIEDZHCINWHUJGY-UHFFFAOYSA-N
XLogP0.08
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-5-fluoro-3-[2-(1,3-thiazol-4-yl)ethyl]-1H-pyrimidine-2,4-dione
CID 104372569
5-Fluoro-6-hydroxy-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-dione
CID 112600592
5-Fluoro-6-hydroxy-1-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione
CID 112600760
5-Fluoro-6-hydroxy-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-dione
CID 112601014
5-Fluoro-6-hydroxy-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-dione
CID 114139770
6-chloro-5-fluoro-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-pyrimidine-2,4-dione
CID 114139816
6-Amino-1-methyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione
CID 55259887
2-Sulfanylidene-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-one
CID 63824290
1,3-Dimethyl-5-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]pyrimidine-2,4-dione
CID 63830060
6-Amino-1-(2-methylpropyl)-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione
CID 63830273
6-Amino-3-methyl-1-propyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione
CID 63830274
6-Amino-1-ethyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione
CID 63830275

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-hydroxy-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-6-hydroxy-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-dione (CID 112600708) is 5-fluoro-6-hydroxy-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-6-hydroxy-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-6-hydroxy-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(CCc2cscn2)c(O)c1F.
What is the InChIKey of 5-fluoro-6-hydroxy-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-dione?
The InChIKey is IEDZHCINWHUJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O3S/c10-6-7(14)12-9(16)13(8(6)15)2-1-5-3-17-4-11-5/h3-4,15H,1-2H2,(H,12,14,16).
What are the key properties of 5-fluoro-6-hydroxy-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-dione?
5-fluoro-6-hydroxy-1-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-dione has a molecular weight of 257.25 g/mol, XLogP of 0.08, 3 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-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 112600708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).