2-[(2-bromophenyl)sulfanylmethyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one

C13H13BrN2O2S — CID 66144618

IUPAC2-[(2-bromophenyl)sulfanylmethyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(CSc2ccccc2Br)[nH]c1=O
InChIInChI=1S/C13H13BrN2O2S/c1-2-8-12(17)15-11(16-13(8)18)7-19-10-6-4-3-5-9(10)14/h3-6H,2,7H2,1H3,(H2,15,16,17,18)
InChIKeyWXMWGEYQLVDVIJ-UHFFFAOYSA-N
MW341.23 g/mol
LogP3.09
Rot. Bonds4

About 2-[(2-bromophenyl)sulfanylmethyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one

2-[(2-bromophenyl)sulfanylmethyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 66144618) has the molecular formula C13H13BrN2O2S and a molecular weight of 341.23 g/mol. Its IUPAC name is 2-[(2-bromophenyl)sulfanylmethyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2-bromophenyl)sulfanylmethyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
PubChem CID66144618
Molecular FormulaC13H13BrN2O2S
Molecular Weight341.23 g/mol
Exact Mass339.99
IUPAC Name2-[(2-bromophenyl)sulfanylmethyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(CSc2ccccc2Br)[nH]c1=O
InChIInChI=1S/C13H13BrN2O2S/c1-2-8-12(17)15-11(16-13(8)18)7-19-10-6-4-3-5-9(10)14/h3-6H,2,7H2,1H3,(H2,15,16,17,18)
InChIKeyWXMWGEYQLVDVIJ-UHFFFAOYSA-N
XLogP3.09
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-4-hydroxy-2-[(2-methylphenyl)sulfanylmethyl]-1H-pyrimidin-6-one
CID 66094453
2-[(4-bromophenyl)sulfanylmethyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 66057250
5-ethyl-4-hydroxy-2-[(4-methylphenyl)sulfanylmethyl]-1H-pyrimidin-6-one
CID 66065958
5-bromo-2-[(2-fluorophenyl)sulfanylmethyl]-4-hydroxy-1H-pyrimidin-6-one
CID 66284562
2-[(2-bromophenyl)sulfanylmethyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 66144099
5-ethyl-4-hydroxy-2-(phenoxymethyl)-1H-pyrimidin-6-one
CID 63612447
2-benzylsulfanyl-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 3414179
2-[(2-bromophenyl)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63612612
2-[(3-chloro-2-fluorophenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 82802809
2-(2,2-dimethylpropyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 63891060
5-ethyl-4-hydroxy-2-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one
CID 55215281
2-[(3-chlorophenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 63611264

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)sulfanylmethyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2-bromophenyl)sulfanylmethyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one (CID 66144618) is 2-[(2-bromophenyl)sulfanylmethyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2-bromophenyl)sulfanylmethyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2-bromophenyl)sulfanylmethyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one is CCc1c(O)nc(CSc2ccccc2Br)[nH]c1=O.
What is the InChIKey of 2-[(2-bromophenyl)sulfanylmethyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is WXMWGEYQLVDVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2S/c1-2-8-12(17)15-11(16-13(8)18)7-19-10-6-4-3-5-9(10)14/h3-6H,2,7H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-[(2-bromophenyl)sulfanylmethyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
2-[(2-bromophenyl)sulfanylmethyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 341.23 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)sulfanylmethyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 66144618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).