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

C7H10BrN3O3S — CID 136956192

IUPAC5-bromo-4-(2-methylsulfonylethylamino)-1H-pyrimidin-6-one
SMILESCS(=O)(=O)CCNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C7H10BrN3O3S/c1-15(13,14)3-2-9-6-5(8)7(12)11-4-10-6/h4H,2-3H2,1H3,(H2,9,10,11,12)
InChIKeyAUNYSPODAUMQGE-UHFFFAOYSA-N
MW296.15 g/mol
LogP-0.01
Rot. Bonds4

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

5-bromo-4-(2-methylsulfonylethylamino)-1H-pyrimidin-6-one (PubChem CID 136956192) has the molecular formula C7H10BrN3O3S and a molecular weight of 296.15 g/mol. Its IUPAC name is 5-bromo-4-(2-methylsulfonylethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(2-methylsulfonylethylamino)-1H-pyrimidin-6-one
PubChem CID136956192
Molecular FormulaC7H10BrN3O3S
Molecular Weight296.15 g/mol
Exact Mass294.96
IUPAC Name5-bromo-4-(2-methylsulfonylethylamino)-1H-pyrimidin-6-one
SMILESCS(=O)(=O)CCNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C7H10BrN3O3S/c1-15(13,14)3-2-9-6-5(8)7(12)11-4-10-6/h4H,2-3H2,1H3,(H2,9,10,11,12)
InChIKeyAUNYSPODAUMQGE-UHFFFAOYSA-N
XLogP-0.01
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.15
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-Bromo-3-[2-(2-methylsulfonylethylamino)ethyl]pyrimidin-4-one
CID 66308100
5-bromo-4-(2-methylsulfonylethylsulfanyl)-1H-pyrimidin-6-one
CID 114791249
5-bromo-4-(1,1-dioxo-1,4-thiazepan-4-yl)-1H-pyrimidin-6-one
CID 136733803
4-(2-ethylsulfonylethylamino)-5-iodo-1H-pyrimidin-6-one
CID 136750486
4-(2-ethylsulfonylethylamino)-1H-pyrimidin-6-one
CID 136750488
5-bromo-4-(2-ethylsulfonylethylamino)-1H-pyrimidin-6-one
CID 136750489
N-[3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]propyl]methanesulfonamide
CID 136757530
2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 136757537
2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 136784807
5-bromo-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one
CID 136865941
5-bromo-4-[(1,1-dioxothiolan-3-yl)amino]-1H-pyrimidin-6-one
CID 136955979
2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide
CID 136956107

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2-methylsulfonylethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(2-methylsulfonylethylamino)-1H-pyrimidin-6-one (CID 136956192) is 5-bromo-4-(2-methylsulfonylethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(2-methylsulfonylethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(2-methylsulfonylethylamino)-1H-pyrimidin-6-one is CS(=O)(=O)CCNc1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-(2-methylsulfonylethylamino)-1H-pyrimidin-6-one?
The InChIKey is AUNYSPODAUMQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3O3S/c1-15(13,14)3-2-9-6-5(8)7(12)11-4-10-6/h4H,2-3H2,1H3,(H2,9,10,11,12).
What are the key properties of 5-bromo-4-(2-methylsulfonylethylamino)-1H-pyrimidin-6-one?
5-bromo-4-(2-methylsulfonylethylamino)-1H-pyrimidin-6-one has a molecular weight of 296.15 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2-methylsulfonylethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136956192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).