5-bromo-4-hydroxy-2-(methylsulfonylmethyl)-1H-pyrimidin-6-one

C6H7BrN2O4S — CID 66284960

IUPAC5-bromo-4-hydroxy-2-(methylsulfonylmethyl)-1H-pyrimidin-6-one
SMILESCS(=O)(=O)Cc1nc(O)c(Br)c(=O)[nH]1
InChIInChI=1S/C6H7BrN2O4S/c1-14(12,13)2-3-8-5(10)4(7)6(11)9-3/h2H2,1H3,(H2,8,9,10,11)
InChIKeyAICJMGHQLLTETN-UHFFFAOYSA-N
MW283.10 g/mol
LogP-0.22
Rot. Bonds2

About 5-bromo-4-hydroxy-2-(methylsulfonylmethyl)-1H-pyrimidin-6-one

5-bromo-4-hydroxy-2-(methylsulfonylmethyl)-1H-pyrimidin-6-one (PubChem CID 66284960) has the molecular formula C6H7BrN2O4S and a molecular weight of 283.10 g/mol. Its IUPAC name is 5-bromo-4-hydroxy-2-(methylsulfonylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-hydroxy-2-(methylsulfonylmethyl)-1H-pyrimidin-6-one
PubChem CID66284960
Molecular FormulaC6H7BrN2O4S
Molecular Weight283.10 g/mol
Exact Mass281.93
IUPAC Name5-bromo-4-hydroxy-2-(methylsulfonylmethyl)-1H-pyrimidin-6-one
SMILESCS(=O)(=O)Cc1nc(O)c(Br)c(=O)[nH]1
InChIInChI=1S/C6H7BrN2O4S/c1-14(12,13)2-3-8-5(10)4(7)6(11)9-3/h2H2,1H3,(H2,8,9,10,11)
InChIKeyAICJMGHQLLTETN-UHFFFAOYSA-N
XLogP-0.22
TPSA100.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.10
LogP ≤ 5-0.22
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-(methylsulfonylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-hydroxy-2-(methylsulfonylmethyl)-1H-pyrimidin-6-one (CID 66284960) is 5-bromo-4-hydroxy-2-(methylsulfonylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-hydroxy-2-(methylsulfonylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-hydroxy-2-(methylsulfonylmethyl)-1H-pyrimidin-6-one is CS(=O)(=O)Cc1nc(O)c(Br)c(=O)[nH]1.
What is the InChIKey of 5-bromo-4-hydroxy-2-(methylsulfonylmethyl)-1H-pyrimidin-6-one?
The InChIKey is AICJMGHQLLTETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O4S/c1-14(12,13)2-3-8-5(10)4(7)6(11)9-3/h2H2,1H3,(H2,8,9,10,11).
What are the key properties of 5-bromo-4-hydroxy-2-(methylsulfonylmethyl)-1H-pyrimidin-6-one?
5-bromo-4-hydroxy-2-(methylsulfonylmethyl)-1H-pyrimidin-6-one has a molecular weight of 283.10 g/mol, XLogP of -0.22, 2 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-(methylsulfonylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 66284960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).