5-bromo-4-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one

C8H6BrN3O2S — CID 104770895

IUPAC5-bromo-4-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one
SMILESCc1csc(-c2nc(O)c(Br)c(=O)[nH]2)n1
InChIInChI=1S/C8H6BrN3O2S/c1-3-2-15-8(10-3)5-11-6(13)4(9)7(14)12-5/h2H,1H3,(H2,11,12,13,14)
InChIKeyFFQRJFMNJRGVCJ-UHFFFAOYSA-N
MW288.13 g/mol
LogP1.67
Rot. Bonds1

About 5-bromo-4-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one

5-bromo-4-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one (PubChem CID 104770895) has the molecular formula C8H6BrN3O2S and a molecular weight of 288.13 g/mol. Its IUPAC name is 5-bromo-4-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one
PubChem CID104770895
Molecular FormulaC8H6BrN3O2S
Molecular Weight288.13 g/mol
Exact Mass286.94
IUPAC Name5-bromo-4-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one
SMILESCc1csc(-c2nc(O)c(Br)c(=O)[nH]2)n1
InChIInChI=1S/C8H6BrN3O2S/c1-3-2-15-8(10-3)5-11-6(13)4(9)7(14)12-5/h2H,1H3,(H2,11,12,13,14)
InChIKeyFFQRJFMNJRGVCJ-UHFFFAOYSA-N
XLogP1.67
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one (CID 104770895) is 5-bromo-4-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one is Cc1csc(-c2nc(O)c(Br)c(=O)[nH]2)n1.
What is the InChIKey of 5-bromo-4-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one?
The InChIKey is FFQRJFMNJRGVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O2S/c1-3-2-15-8(10-3)5-11-6(13)4(9)7(14)12-5/h2H,1H3,(H2,11,12,13,14).
What are the key properties of 5-bromo-4-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one?
5-bromo-4-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one has a molecular weight of 288.13 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-hydroxy-2-(4-methyl-1,3-thiazol-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 104770895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).