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

C9H8FN3O3S — CID 112599942

IUPAC5-fluoro-6-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-dione
SMILESCc1nc(Cn2c(O)c(F)c(=O)[nH]c2=O)cs1
InChIInChI=1S/C9H8FN3O3S/c1-4-11-5(3-17-4)2-13-8(15)6(10)7(14)12-9(13)16/h3,15H,2H2,1H3,(H,12,14,16)
InChIKeyMWWMUHNHSXQDSM-UHFFFAOYSA-N
MW257.25 g/mol
LogP0.19
Rot. Bonds2

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

5-fluoro-6-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-dione (PubChem CID 112599942) has the molecular formula C9H8FN3O3S and a molecular weight of 257.25 g/mol. Its IUPAC name is 5-fluoro-6-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-6-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-dione
PubChem CID112599942
Molecular FormulaC9H8FN3O3S
Molecular Weight257.25 g/mol
Exact Mass257.03
IUPAC Name5-fluoro-6-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-dione
SMILESCc1nc(Cn2c(O)c(F)c(=O)[nH]c2=O)cs1
InChIInChI=1S/C9H8FN3O3S/c1-4-11-5(3-17-4)2-13-8(15)6(10)7(14)12-9(13)16/h3,15H,2H2,1H3,(H,12,14,16)
InChIKeyMWWMUHNHSXQDSM-UHFFFAOYSA-N
XLogP0.19
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-[(2-Methyl-1,3-thiazol-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 47247601
4-[(5-Fluoro-2,4-dioxopyrimidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 63557188
4-[(5-Fluoro-2,4-dioxopyrimidin-1-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 63579073
2-[(2-Methyl-1,3-thiazol-4-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265822
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
6-chloro-5-fluoro-3-(1,3-thiazol-4-ylmethyl)-1H-pyrimidine-2,4-dione
CID 104372615
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

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-6-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-dione (CID 112599942) is 5-fluoro-6-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-6-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-6-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-dione is Cc1nc(Cn2c(O)c(F)c(=O)[nH]c2=O)cs1.
What is the InChIKey of 5-fluoro-6-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is MWWMUHNHSXQDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O3S/c1-4-11-5(3-17-4)2-13-8(15)6(10)7(14)12-9(13)16/h3,15H,2H2,1H3,(H,12,14,16).
What are the key properties of 5-fluoro-6-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-dione?
5-fluoro-6-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 257.25 g/mol, XLogP of 0.19, 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-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 112599942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).