5-bromo-4-methyl-N-(2-methylsulfonylethyl)pyrimidin-2-amine

C8H12BrN3O2S — CID 131001543

IUPAC5-bromo-4-methyl-N-(2-methylsulfonylethyl)pyrimidin-2-amine
SMILESCc1nc(NCCS(C)(=O)=O)ncc1Br
InChIInChI=1S/C8H12BrN3O2S/c1-6-7(9)5-11-8(12-6)10-3-4-15(2,13)14/h5H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyDBCRHQGWMNJIDG-UHFFFAOYSA-N
MW294.17 g/mol
LogP1.00
Rot. Bonds4

About 5-bromo-4-methyl-N-(2-methylsulfonylethyl)pyrimidin-2-amine

5-bromo-4-methyl-N-(2-methylsulfonylethyl)pyrimidin-2-amine (PubChem CID 131001543) has the molecular formula C8H12BrN3O2S and a molecular weight of 294.17 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-(2-methylsulfonylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-methyl-N-(2-methylsulfonylethyl)pyrimidin-2-amine
PubChem CID131001543
Molecular FormulaC8H12BrN3O2S
Molecular Weight294.17 g/mol
Exact Mass292.98
IUPAC Name5-bromo-4-methyl-N-(2-methylsulfonylethyl)pyrimidin-2-amine
SMILESCc1nc(NCCS(C)(=O)=O)ncc1Br
InChIInChI=1S/C8H12BrN3O2S/c1-6-7(9)5-11-8(12-6)10-3-4-15(2,13)14/h5H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyDBCRHQGWMNJIDG-UHFFFAOYSA-N
XLogP1.00
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.17
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-bromo-4-methylpyrimidin-2-yl)methanesulfonamide
CID 67280006
5,6-dimethyl-N-(2-methylsulfonylethyl)pyrazin-2-amine
CID 114475378
1-[(5-bromo-4-methylpyrimidin-2-yl)amino]-2-methylpropan-2-ol
CID 130821689
2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-methylethanesulfonamide
CID 106337859
2-[(4,5-dimethylpyrimidin-2-yl)amino]-N,N-diethylethanesulfonamide
CID 75436342
3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]propane-1-sulfonamide
CID 106997682
5-bromo-4-methyl-N-propan-2-ylpyrimidin-2-amine
CID 115037552
5-bromo-N-[(3-chlorocyclobutyl)methyl]-4-methylpyrimidin-2-amine
CID 130821715
2-[(5-bromo-2-methylpyrimidin-4-yl)amino]ethanesulfonamide
CID 131140623
2-chloro-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine
CID 79076599
N-(3-bicyclo[3.1.0]hexanyl)-5-bromo-4-methylpyrimidin-2-amine
CID 130791689
5-bromo-N-cyclohexyl-4-methylpyrimidin-2-amine
CID 115050366

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-(2-methylsulfonylethyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-methyl-N-(2-methylsulfonylethyl)pyrimidin-2-amine (CID 131001543) is 5-bromo-4-methyl-N-(2-methylsulfonylethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-methyl-N-(2-methylsulfonylethyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-methyl-N-(2-methylsulfonylethyl)pyrimidin-2-amine is Cc1nc(NCCS(C)(=O)=O)ncc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-(2-methylsulfonylethyl)pyrimidin-2-amine?
The InChIKey is DBCRHQGWMNJIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O2S/c1-6-7(9)5-11-8(12-6)10-3-4-15(2,13)14/h5H,3-4H2,1-2H3,(H,10,11,12).
What are the key properties of 5-bromo-4-methyl-N-(2-methylsulfonylethyl)pyrimidin-2-amine?
5-bromo-4-methyl-N-(2-methylsulfonylethyl)pyrimidin-2-amine has a molecular weight of 294.17 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-(2-methylsulfonylethyl)pyrimidin-2-amine is sourced from PubChem (CID 131001543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).