5-bromo-N,6-dimethyl-2-(1-methylsulfonylethyl)pyrimidin-4-amine

C9H14BrN3O2S — CID 116633220

IUPAC5-bromo-N,6-dimethyl-2-(1-methylsulfonylethyl)pyrimidin-4-amine
SMILESCNc1nc(C(C)S(C)(=O)=O)nc(C)c1Br
InChIInChI=1S/C9H14BrN3O2S/c1-5-7(10)9(11-3)13-8(12-5)6(2)16(4,14)15/h6H,1-4H3,(H,11,12,13)
InChIKeyDWNAEJGQPZCMOY-UHFFFAOYSA-N
MW308.20 g/mol
LogP1.69
Rot. Bonds3

About 5-bromo-N,6-dimethyl-2-(1-methylsulfonylethyl)pyrimidin-4-amine

5-bromo-N,6-dimethyl-2-(1-methylsulfonylethyl)pyrimidin-4-amine (PubChem CID 116633220) has the molecular formula C9H14BrN3O2S and a molecular weight of 308.20 g/mol. Its IUPAC name is 5-bromo-N,6-dimethyl-2-(1-methylsulfonylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N,6-dimethyl-2-(1-methylsulfonylethyl)pyrimidin-4-amine
PubChem CID116633220
Molecular FormulaC9H14BrN3O2S
Molecular Weight308.20 g/mol
Exact Mass307.00
IUPAC Name5-bromo-N,6-dimethyl-2-(1-methylsulfonylethyl)pyrimidin-4-amine
SMILESCNc1nc(C(C)S(C)(=O)=O)nc(C)c1Br
InChIInChI=1S/C9H14BrN3O2S/c1-5-7(10)9(11-3)13-8(12-5)6(2)16(4,14)15/h6H,1-4H3,(H,11,12,13)
InChIKeyDWNAEJGQPZCMOY-UHFFFAOYSA-N
XLogP1.69
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-6-methyl-2-(1-methylsulfonylethyl)pyrimidin-4-amine
CID 116633219
N-methyl-2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 116633187
5-bromo-2-(1-methylsulfonylethyl)-N,6-dipropylpyrimidin-4-amine
CID 116633228
5-bromo-2-[cyclohexyl(methoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 116776477
methyl 5-bromo-4-methyl-6-(methylamino)pyrimidine-2-carboxylate
CID 66304871
N-ethyl-5,6-dimethyl-2-(1-methylsulfonylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 116633151
3-[4,6-dimethyl-2-(1-methylsulfonylethyl)pyrimidin-5-yl]-2-methylpropanoic acid
CID 116633068
N-ethyl-5-iodo-2-(1-methylsulfonylethyl)-6-propylpyrimidin-4-amine
CID 116633231
5-bromo-N,6-dimethyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 66304033
5,6-dimethyl-2-(1-methylsulfonylethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 116633152
5-iodo-6-(2-methylpropyl)-2-(1-methylsulfonylethyl)-N-propylpyrimidin-4-amine
CID 116633286
4,6-dichloro-5-fluoro-2-(1-methylsulfonylethyl)pyrimidine
CID 116633050

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,6-dimethyl-2-(1-methylsulfonylethyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N,6-dimethyl-2-(1-methylsulfonylethyl)pyrimidin-4-amine (CID 116633220) is 5-bromo-N,6-dimethyl-2-(1-methylsulfonylethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N,6-dimethyl-2-(1-methylsulfonylethyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N,6-dimethyl-2-(1-methylsulfonylethyl)pyrimidin-4-amine is CNc1nc(C(C)S(C)(=O)=O)nc(C)c1Br.
What is the InChIKey of 5-bromo-N,6-dimethyl-2-(1-methylsulfonylethyl)pyrimidin-4-amine?
The InChIKey is DWNAEJGQPZCMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O2S/c1-5-7(10)9(11-3)13-8(12-5)6(2)16(4,14)15/h6H,1-4H3,(H,11,12,13).
What are the key properties of 5-bromo-N,6-dimethyl-2-(1-methylsulfonylethyl)pyrimidin-4-amine?
5-bromo-N,6-dimethyl-2-(1-methylsulfonylethyl)pyrimidin-4-amine has a molecular weight of 308.20 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,6-dimethyl-2-(1-methylsulfonylethyl)pyrimidin-4-amine is sourced from PubChem (CID 116633220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).