5-bromo-6-methyl-2-(1-methylsulfonylethyl)pyrimidin-4-amine

C8H12BrN3O2S — CID 116633219

IUPAC5-bromo-6-methyl-2-(1-methylsulfonylethyl)pyrimidin-4-amine
SMILESCc1nc(C(C)S(C)(=O)=O)nc(N)c1Br
InChIInChI=1S/C8H12BrN3O2S/c1-4-6(9)7(10)12-8(11-4)5(2)15(3,13)14/h5H,1-3H3,(H2,10,11,12)
InChIKeyCRCSRJCCXKCNJW-UHFFFAOYSA-N
MW294.17 g/mol
LogP1.24
Rot. Bonds2

About 5-bromo-6-methyl-2-(1-methylsulfonylethyl)pyrimidin-4-amine

5-bromo-6-methyl-2-(1-methylsulfonylethyl)pyrimidin-4-amine (PubChem CID 116633219) has the molecular formula C8H12BrN3O2S and a molecular weight of 294.17 g/mol. Its IUPAC name is 5-bromo-6-methyl-2-(1-methylsulfonylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-methyl-2-(1-methylsulfonylethyl)pyrimidin-4-amine
PubChem CID116633219
Molecular FormulaC8H12BrN3O2S
Molecular Weight294.17 g/mol
Exact Mass292.98
IUPAC Name5-bromo-6-methyl-2-(1-methylsulfonylethyl)pyrimidin-4-amine
SMILESCc1nc(C(C)S(C)(=O)=O)nc(N)c1Br
InChIInChI=1S/C8H12BrN3O2S/c1-4-6(9)7(10)12-8(11-4)5(2)15(3,13)14/h5H,1-3H3,(H2,10,11,12)
InChIKeyCRCSRJCCXKCNJW-UHFFFAOYSA-N
XLogP1.24
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.17
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N,6-dimethyl-2-(1-methylsulfonylethyl)pyrimidin-4-amine
CID 116633220
6-ethyl-5-methyl-2-(1-methylsulfonylethyl)pyrimidin-4-amine
CID 116633207
6-methyl-2-(1-methylsulfonylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 116633156
5-bromo-2-(1-ethoxypropyl)-6-methylpyrimidin-4-amine
CID 116729296
3-[4,6-dimethyl-2-(1-methylsulfonylethyl)pyrimidin-5-yl]-2-methylpropanoic acid
CID 116633068
4-amino-2-(1-methylsulfonylethyl)pyrimidine-5-carbonitrile
CID 116633646
5-bromo-2-(1-methylsulfonylethyl)-N,6-dipropylpyrimidin-4-amine
CID 116633228
4,6-dichloro-5-fluoro-2-(1-methylsulfonylethyl)pyrimidine
CID 116633050
5-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
CID 107811747
5-bromo-4,6-dimethylpyridine-2,3-diamine
CID 15827793
1-bromo-1-methylsulfonylethane
CID 87262081
5-bromo-2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116632791

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-2-(1-methylsulfonylethyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-methyl-2-(1-methylsulfonylethyl)pyrimidin-4-amine (CID 116633219) is 5-bromo-6-methyl-2-(1-methylsulfonylethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-methyl-2-(1-methylsulfonylethyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-methyl-2-(1-methylsulfonylethyl)pyrimidin-4-amine is Cc1nc(C(C)S(C)(=O)=O)nc(N)c1Br.
What is the InChIKey of 5-bromo-6-methyl-2-(1-methylsulfonylethyl)pyrimidin-4-amine?
The InChIKey is CRCSRJCCXKCNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O2S/c1-4-6(9)7(10)12-8(11-4)5(2)15(3,13)14/h5H,1-3H3,(H2,10,11,12).
What are the key properties of 5-bromo-6-methyl-2-(1-methylsulfonylethyl)pyrimidin-4-amine?
5-bromo-6-methyl-2-(1-methylsulfonylethyl)pyrimidin-4-amine has a molecular weight of 294.17 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-2-(1-methylsulfonylethyl)pyrimidin-4-amine is sourced from PubChem (CID 116633219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).