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

C6H7BrN2O2S — CID 66287556

IUPAC5-bromo-4-hydroxy-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one
SMILESCSCc1nc(O)c(Br)c(=O)[nH]1
InChIInChI=1S/C6H7BrN2O2S/c1-12-2-3-8-5(10)4(7)6(11)9-3/h2H2,1H3,(H2,8,9,10,11)
InChIKeyUWEVTFPFLCUJHP-UHFFFAOYSA-N
MW251.10 g/mol
LogP1.10
Rot. Bonds2

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

5-bromo-4-hydroxy-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one (PubChem CID 66287556) has the molecular formula C6H7BrN2O2S and a molecular weight of 251.10 g/mol. Its IUPAC name is 5-bromo-4-hydroxy-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-hydroxy-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one
PubChem CID66287556
Molecular FormulaC6H7BrN2O2S
Molecular Weight251.10 g/mol
Exact Mass249.94
IUPAC Name5-bromo-4-hydroxy-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one
SMILESCSCc1nc(O)c(Br)c(=O)[nH]1
InChIInChI=1S/C6H7BrN2O2S/c1-12-2-3-8-5(10)4(7)6(11)9-3/h2H2,1H3,(H2,8,9,10,11)
InChIKeyUWEVTFPFLCUJHP-UHFFFAOYSA-N
XLogP1.10
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.10
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-hydroxy-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-hydroxy-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one (CID 66287556) is 5-bromo-4-hydroxy-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-hydroxy-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-hydroxy-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one is CSCc1nc(O)c(Br)c(=O)[nH]1.
What is the InChIKey of 5-bromo-4-hydroxy-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one?
The InChIKey is UWEVTFPFLCUJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O2S/c1-12-2-3-8-5(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-(methylsulfanylmethyl)-1H-pyrimidin-6-one?
5-bromo-4-hydroxy-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one has a molecular weight of 251.10 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-hydroxy-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 66287556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).