N-methyl-1-(2-methylpyrimidin-4-yl)-4-methylsulfonylbutan-1-amine

C11H19N3O2S — CID 113329542

IUPACN-methyl-1-(2-methylpyrimidin-4-yl)-4-methylsulfonylbutan-1-amine
SMILESCNC(CCCS(C)(=O)=O)c1ccnc(C)n1
InChIInChI=1S/C11H19N3O2S/c1-9-13-7-6-11(14-9)10(12-2)5-4-8-17(3,15)16/h6-7,10,12H,4-5,8H2,1-3H3
InChIKeyZEHBZNXCOMYAFT-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.87
Rot. Bonds6

About N-methyl-1-(2-methylpyrimidin-4-yl)-4-methylsulfonylbutan-1-amine

N-methyl-1-(2-methylpyrimidin-4-yl)-4-methylsulfonylbutan-1-amine (PubChem CID 113329542) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-methyl-1-(2-methylpyrimidin-4-yl)-4-methylsulfonylbutan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methylpyrimidin-4-yl)-4-methylsulfonylbutan-1-amine
PubChem CID113329542
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-methyl-1-(2-methylpyrimidin-4-yl)-4-methylsulfonylbutan-1-amine
SMILESCNC(CCCS(C)(=O)=O)c1ccnc(C)n1
InChIInChI=1S/C11H19N3O2S/c1-9-13-7-6-11(14-9)10(12-2)5-4-8-17(3,15)16/h6-7,10,12H,4-5,8H2,1-3H3
InChIKeyZEHBZNXCOMYAFT-UHFFFAOYSA-N
XLogP0.87
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-1-(2-methylpyrimidin-4-yl)-4-methylsulfonylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methylpyrimidin-4-yl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 115530977
1-(2-methylpyrimidin-4-yl)-4-methylsulfonylbutan-1-amine
CID 115530121
N-methyl-1-(2-methylpyrimidin-4-yl)nonan-1-amine
CID 115530489
N-ethyl-1-(2-methylpyrimidin-4-yl)-3-methylsulfonylpropan-1-amine
CID 115530771
N-methyl-4-methylsulfonyl-1-pyrazin-2-ylbutan-1-amine
CID 63192034
N-methyl-4-methylsulfonyl-1-[5-(trifluoromethyl)-2-pyridinyl]butan-1-amine
CID 105112912
N-methyl-4-methylsulfonyl-1-pyridin-4-ylbutan-1-amine
CID 63192032
3-ethyl-N-methyl-1-(2-methylpyrimidin-4-yl)pentan-1-amine
CID 82922386
1-(3-chloro-2-pyridinyl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 103444154
N-methyl-1-(2-methylphenyl)-4-methylsulfonylbutan-1-amine
CID 63192498
N-methyl-4-methylsulfonyl-1-thiophen-2-ylbutan-1-amine
CID 63192027
1-(2-methylpyrimidin-4-yl)undecylhydrazine
CID 105260655

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylpyrimidin-4-yl)-4-methylsulfonylbutan-1-amine?
The IUPAC name of N-methyl-1-(2-methylpyrimidin-4-yl)-4-methylsulfonylbutan-1-amine (CID 113329542) is N-methyl-1-(2-methylpyrimidin-4-yl)-4-methylsulfonylbutan-1-amine.
What is the SMILES notation for N-methyl-1-(2-methylpyrimidin-4-yl)-4-methylsulfonylbutan-1-amine?
The canonical SMILES for N-methyl-1-(2-methylpyrimidin-4-yl)-4-methylsulfonylbutan-1-amine is CNC(CCCS(C)(=O)=O)c1ccnc(C)n1.
What is the InChIKey of N-methyl-1-(2-methylpyrimidin-4-yl)-4-methylsulfonylbutan-1-amine?
The InChIKey is ZEHBZNXCOMYAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-9-13-7-6-11(14-9)10(12-2)5-4-8-17(3,15)16/h6-7,10,12H,4-5,8H2,1-3H3.
What are the key properties of N-methyl-1-(2-methylpyrimidin-4-yl)-4-methylsulfonylbutan-1-amine?
N-methyl-1-(2-methylpyrimidin-4-yl)-4-methylsulfonylbutan-1-amine has a molecular weight of 257.36 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylpyrimidin-4-yl)-4-methylsulfonylbutan-1-amine is sourced from PubChem (CID 113329542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).