4-[(2-ethylsulfonylanilino)methyl]-N,N,6-trimethylpyrimidin-2-amine

C16H22N4O2S — CID 100690186

IUPAC4-[(2-ethylsulfonylanilino)methyl]-N,N,6-trimethylpyrimidin-2-amine
SMILESCCS(=O)(=O)c1ccccc1NCc1cc(C)nc(N(C)C)n1
InChIInChI=1S/C16H22N4O2S/c1-5-23(21,22)15-9-7-6-8-14(15)17-11-13-10-12(2)18-16(19-13)20(3)4/h6-10,17H,5,11H2,1-4H3
InChIKeyODIOSMZJVSRQMD-UHFFFAOYSA-N
MW334.45 g/mol
LogP2.26
Rot. Bonds6

About 4-[(2-ethylsulfonylanilino)methyl]-N,N,6-trimethylpyrimidin-2-amine

4-[(2-ethylsulfonylanilino)methyl]-N,N,6-trimethylpyrimidin-2-amine (PubChem CID 100690186) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 4-[(2-ethylsulfonylanilino)methyl]-N,N,6-trimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(2-ethylsulfonylanilino)methyl]-N,N,6-trimethylpyrimidin-2-amine
PubChem CID100690186
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name4-[(2-ethylsulfonylanilino)methyl]-N,N,6-trimethylpyrimidin-2-amine
SMILESCCS(=O)(=O)c1ccccc1NCc1cc(C)nc(N(C)C)n1
InChIInChI=1S/C16H22N4O2S/c1-5-23(21,22)15-9-7-6-8-14(15)17-11-13-10-12(2)18-16(19-13)20(3)4/h6-10,17H,5,11H2,1-4H3
InChIKeyODIOSMZJVSRQMD-UHFFFAOYSA-N
XLogP2.26
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethylsulfonyl-N-[(6-methyl-2-pyridinyl)methyl]aniline
CID 62307879
2-bromo-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzenesulfonamide
CID 122354177
2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzenesulfonamide
CID 72718438
2-ethylsulfonyl-N-[(5-methylpyrazin-2-yl)methyl]aniline
CID 62846839
N-[(6-bromo-2-pyridinyl)methyl]-2-ethylsulfonylaniline
CID 115938075
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(3-ethylsulfonylphenyl)acetamide
CID 119046367
N-[(6-methyl-2-pyridinyl)methyl]-2-propylsulfonylaniline
CID 62307021
2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide
CID 91967581
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]ethenesulfonamide
CID 167829406
1-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122354189
2-bromo-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide
CID 122354191
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-fluorobenzamide
CID 72718411

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylsulfonylanilino)methyl]-N,N,6-trimethylpyrimidin-2-amine?
The IUPAC name of 4-[(2-ethylsulfonylanilino)methyl]-N,N,6-trimethylpyrimidin-2-amine (CID 100690186) is 4-[(2-ethylsulfonylanilino)methyl]-N,N,6-trimethylpyrimidin-2-amine.
What is the SMILES notation for 4-[(2-ethylsulfonylanilino)methyl]-N,N,6-trimethylpyrimidin-2-amine?
The canonical SMILES for 4-[(2-ethylsulfonylanilino)methyl]-N,N,6-trimethylpyrimidin-2-amine is CCS(=O)(=O)c1ccccc1NCc1cc(C)nc(N(C)C)n1.
What is the InChIKey of 4-[(2-ethylsulfonylanilino)methyl]-N,N,6-trimethylpyrimidin-2-amine?
The InChIKey is ODIOSMZJVSRQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-5-23(21,22)15-9-7-6-8-14(15)17-11-13-10-12(2)18-16(19-13)20(3)4/h6-10,17H,5,11H2,1-4H3.
What are the key properties of 4-[(2-ethylsulfonylanilino)methyl]-N,N,6-trimethylpyrimidin-2-amine?
4-[(2-ethylsulfonylanilino)methyl]-N,N,6-trimethylpyrimidin-2-amine has a molecular weight of 334.45 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylsulfonylanilino)methyl]-N,N,6-trimethylpyrimidin-2-amine is sourced from PubChem (CID 100690186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).