N,N-dimethyl-2-(2-methylsulfonylpyrimidin-4-yl)ethanamine

C9H15N3O2S — CID 82391038

IUPACN,N-dimethyl-2-(2-methylsulfonylpyrimidin-4-yl)ethanamine
SMILESCN(C)CCc1ccnc(S(C)(=O)=O)n1
InChIInChI=1S/C9H15N3O2S/c1-12(2)7-5-8-4-6-10-9(11-8)15(3,13)14/h4,6H,5,7H2,1-3H3
InChIKeyMRAVMINUWSOWNK-UHFFFAOYSA-N
MW229.31 g/mol
LogP-0.02
Rot. Bonds4

About N,N-dimethyl-2-(2-methylsulfonylpyrimidin-4-yl)ethanamine

N,N-dimethyl-2-(2-methylsulfonylpyrimidin-4-yl)ethanamine (PubChem CID 82391038) has the molecular formula C9H15N3O2S and a molecular weight of 229.31 g/mol. Its IUPAC name is N,N-dimethyl-2-(2-methylsulfonylpyrimidin-4-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(2-methylsulfonylpyrimidin-4-yl)ethanamine
PubChem CID82391038
Molecular FormulaC9H15N3O2S
Molecular Weight229.31 g/mol
Exact Mass229.09
IUPAC NameN,N-dimethyl-2-(2-methylsulfonylpyrimidin-4-yl)ethanamine
SMILESCN(C)CCc1ccnc(S(C)(=O)=O)n1
InChIInChI=1S/C9H15N3O2S/c1-12(2)7-5-8-4-6-10-9(11-8)15(3,13)14/h4,6H,5,7H2,1-3H3
InChIKeyMRAVMINUWSOWNK-UHFFFAOYSA-N
XLogP-0.02
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2-methylsulfonylpyrimidin-4-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(2-methylsulfonylpyrimidin-4-yl)ethanamine (CID 82391038) is N,N-dimethyl-2-(2-methylsulfonylpyrimidin-4-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(2-methylsulfonylpyrimidin-4-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(2-methylsulfonylpyrimidin-4-yl)ethanamine is CN(C)CCc1ccnc(S(C)(=O)=O)n1.
What is the InChIKey of N,N-dimethyl-2-(2-methylsulfonylpyrimidin-4-yl)ethanamine?
The InChIKey is MRAVMINUWSOWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-12(2)7-5-8-4-6-10-9(11-8)15(3,13)14/h4,6H,5,7H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(2-methylsulfonylpyrimidin-4-yl)ethanamine?
N,N-dimethyl-2-(2-methylsulfonylpyrimidin-4-yl)ethanamine has a molecular weight of 229.31 g/mol, XLogP of -0.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2-methylsulfonylpyrimidin-4-yl)ethanamine is sourced from PubChem (CID 82391038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).