N-ethyl-1-(2-methylpyrimidin-4-yl)-3-methylsulfonylpropan-1-amine

C11H19N3O2S — CID 115530771

IUPACN-ethyl-1-(2-methylpyrimidin-4-yl)-3-methylsulfonylpropan-1-amine
SMILESCCNC(CCS(C)(=O)=O)c1ccnc(C)n1
InChIInChI=1S/C11H19N3O2S/c1-4-12-10(6-8-17(3,15)16)11-5-7-13-9(2)14-11/h5,7,10,12H,4,6,8H2,1-3H3
InChIKeyFCPVKPUGYOQTLC-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.87
Rot. Bonds6

About N-ethyl-1-(2-methylpyrimidin-4-yl)-3-methylsulfonylpropan-1-amine

N-ethyl-1-(2-methylpyrimidin-4-yl)-3-methylsulfonylpropan-1-amine (PubChem CID 115530771) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-ethyl-1-(2-methylpyrimidin-4-yl)-3-methylsulfonylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-methylpyrimidin-4-yl)-3-methylsulfonylpropan-1-amine
PubChem CID115530771
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-ethyl-1-(2-methylpyrimidin-4-yl)-3-methylsulfonylpropan-1-amine
SMILESCCNC(CCS(C)(=O)=O)c1ccnc(C)n1
InChIInChI=1S/C11H19N3O2S/c1-4-12-10(6-8-17(3,15)16)11-5-7-13-9(2)14-11/h5,7,10,12H,4,6,8H2,1-3H3
InChIKeyFCPVKPUGYOQTLC-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

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Related Compounds

1-(2-methylpyrimidin-4-yl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 115530977
N-methyl-1-(2-methylpyrimidin-4-yl)-4-methylsulfonylbutan-1-amine
CID 113329542
N-ethyl-1-(2-methylpyrimidin-4-yl)heptan-1-amine
CID 113329619
N-ethyl-1-(2-methyl-3-pyridinyl)-3-methylsulfonylpropan-1-amine
CID 114984281
2-ethoxy-N-ethyl-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530851
1-(2-methylpyrimidin-4-yl)-4-methylsulfonylbutan-1-amine
CID 115530121
N-ethyl-2-(4-iodophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530719
3-[2-(ethylamino)-2-(2-methylpyrimidin-4-yl)ethyl]pyridin-4-amine
CID 115530844
N-ethyl-1-(5-methylfuran-2-yl)-3-methylsulfonylpropan-1-amine
CID 115848432
N-ethyl-2-(1-methylimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 113329611
N-ethyl-3-methylsulfonyl-1-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 65360783
N-ethyl-3-methylsulfonyl-1-quinoxalin-5-ylpropan-1-amine
CID 114984120

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methylpyrimidin-4-yl)-3-methylsulfonylpropan-1-amine?
The IUPAC name of N-ethyl-1-(2-methylpyrimidin-4-yl)-3-methylsulfonylpropan-1-amine (CID 115530771) is N-ethyl-1-(2-methylpyrimidin-4-yl)-3-methylsulfonylpropan-1-amine.
What is the SMILES notation for N-ethyl-1-(2-methylpyrimidin-4-yl)-3-methylsulfonylpropan-1-amine?
The canonical SMILES for N-ethyl-1-(2-methylpyrimidin-4-yl)-3-methylsulfonylpropan-1-amine is CCNC(CCS(C)(=O)=O)c1ccnc(C)n1.
What is the InChIKey of N-ethyl-1-(2-methylpyrimidin-4-yl)-3-methylsulfonylpropan-1-amine?
The InChIKey is FCPVKPUGYOQTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-4-12-10(6-8-17(3,15)16)11-5-7-13-9(2)14-11/h5,7,10,12H,4,6,8H2,1-3H3.
What are the key properties of N-ethyl-1-(2-methylpyrimidin-4-yl)-3-methylsulfonylpropan-1-amine?
N-ethyl-1-(2-methylpyrimidin-4-yl)-3-methylsulfonylpropan-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-ethyl-1-(2-methylpyrimidin-4-yl)-3-methylsulfonylpropan-1-amine is sourced from PubChem (CID 115530771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).