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

C10H10FN3O3S — CID 112601014

IUPAC5-fluoro-6-hydroxy-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-dione
SMILESCc1csc(C(C)n2c(O)c(F)c(=O)[nH]c2=O)n1
InChIInChI=1S/C10H10FN3O3S/c1-4-3-18-8(12-4)5(2)14-9(16)6(11)7(15)13-10(14)17/h3,5,16H,1-2H3,(H,13,15,17)
InChIKeyPXAXHJMXMFOWAF-UHFFFAOYSA-N
MW271.27 g/mol
LogP0.76
Rot. Bonds2

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

5-fluoro-6-hydroxy-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-dione (PubChem CID 112601014) has the molecular formula C10H10FN3O3S and a molecular weight of 271.27 g/mol. Its IUPAC name is 5-fluoro-6-hydroxy-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-6-hydroxy-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-dione
PubChem CID112601014
Molecular FormulaC10H10FN3O3S
Molecular Weight271.27 g/mol
Exact Mass271.04
IUPAC Name5-fluoro-6-hydroxy-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-dione
SMILESCc1csc(C(C)n2c(O)c(F)c(=O)[nH]c2=O)n1
InChIInChI=1S/C10H10FN3O3S/c1-4-3-18-8(12-4)5(2)14-9(16)6(11)7(15)13-10(14)17/h3,5,16H,1-2H3,(H,13,15,17)
InChIKeyPXAXHJMXMFOWAF-UHFFFAOYSA-N
XLogP0.76
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-Methyl-5-(4-methyl-2-thiazolyl)-2,4(1H,3H)-pyrimidinedione
CID 47002148
1,5-Dimethyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidine-2,4-dione
CID 122155057
1-[(2-Ethyl-1,3-thiazol-4-yl)methyl]-3-methylpyrimidine-2,4-dione
CID 138032414
1-[3-[4-(Chloromethyl)-1,3-thiazol-2-yl]propyl]-5-fluoropyrimidine-2,4-dione
CID 63556604
1-[2-[4-(Chloromethyl)-1,3-thiazol-2-yl]ethyl]-5-fluoropyrimidine-2,4-dione
CID 63556798
6-chloro-5-fluoro-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidine-2,4-dione
CID 104371780
6-chloro-5-fluoro-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrimidine-2,4-dione
CID 104371801
6-chloro-5-fluoro-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1H-pyrimidine-2,4-dione
CID 104372482
5-Fluoro-6-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-dione
CID 112599942
5-Fluoro-6-hydroxy-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-dione
CID 112599973
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-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-dione
CID 112600708

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-hydroxy-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-6-hydroxy-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-dione (CID 112601014) is 5-fluoro-6-hydroxy-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-6-hydroxy-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-6-hydroxy-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-dione is Cc1csc(C(C)n2c(O)c(F)c(=O)[nH]c2=O)n1.
What is the InChIKey of 5-fluoro-6-hydroxy-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-dione?
The InChIKey is PXAXHJMXMFOWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O3S/c1-4-3-18-8(12-4)5(2)14-9(16)6(11)7(15)13-10(14)17/h3,5,16H,1-2H3,(H,13,15,17).
What are the key properties of 5-fluoro-6-hydroxy-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-dione?
5-fluoro-6-hydroxy-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-dione has a molecular weight of 271.27 g/mol, XLogP of 0.76, 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-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 112601014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).