N-(2-ethylsulfonylethyl)-2,5,6-trimethylpyrimidin-4-amine

C11H19N3O2S — CID 72939636

IUPACN-(2-ethylsulfonylethyl)-2,5,6-trimethylpyrimidin-4-amine
SMILESCCS(=O)(=O)CCNc1nc(C)nc(C)c1C
InChIInChI=1S/C11H19N3O2S/c1-5-17(15,16)7-6-12-11-8(2)9(3)13-10(4)14-11/h5-7H2,1-4H3,(H,12,13,14)
InChIKeyKMTJEJIXLSGZNJ-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.25
Rot. Bonds5

About N-(2-ethylsulfonylethyl)-2,5,6-trimethylpyrimidin-4-amine

N-(2-ethylsulfonylethyl)-2,5,6-trimethylpyrimidin-4-amine (PubChem CID 72939636) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)-2,5,6-trimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)-2,5,6-trimethylpyrimidin-4-amine
PubChem CID72939636
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-(2-ethylsulfonylethyl)-2,5,6-trimethylpyrimidin-4-amine
SMILESCCS(=O)(=O)CCNc1nc(C)nc(C)c1C
InChIInChI=1S/C11H19N3O2S/c1-5-17(15,16)7-6-12-11-8(2)9(3)13-10(4)14-11/h5-7H2,1-4H3,(H,12,13,14)
InChIKeyKMTJEJIXLSGZNJ-UHFFFAOYSA-N
XLogP1.25
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)-2,5,6-trimethylpyrimidin-4-amine?
The IUPAC name of N-(2-ethylsulfonylethyl)-2,5,6-trimethylpyrimidin-4-amine (CID 72939636) is N-(2-ethylsulfonylethyl)-2,5,6-trimethylpyrimidin-4-amine.
What is the SMILES notation for N-(2-ethylsulfonylethyl)-2,5,6-trimethylpyrimidin-4-amine?
The canonical SMILES for N-(2-ethylsulfonylethyl)-2,5,6-trimethylpyrimidin-4-amine is CCS(=O)(=O)CCNc1nc(C)nc(C)c1C.
What is the InChIKey of N-(2-ethylsulfonylethyl)-2,5,6-trimethylpyrimidin-4-amine?
The InChIKey is KMTJEJIXLSGZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-5-17(15,16)7-6-12-11-8(2)9(3)13-10(4)14-11/h5-7H2,1-4H3,(H,12,13,14).
What are the key properties of N-(2-ethylsulfonylethyl)-2,5,6-trimethylpyrimidin-4-amine?
N-(2-ethylsulfonylethyl)-2,5,6-trimethylpyrimidin-4-amine has a molecular weight of 257.36 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)-2,5,6-trimethylpyrimidin-4-amine is sourced from PubChem (CID 72939636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).