4-chloro-6-ethoxy-N-methyl-N-(2-methylsulfonylethyl)-1,3,5-triazin-2-amine

C9H15ClN4O3S — CID 79865057

IUPAC4-chloro-6-ethoxy-N-methyl-N-(2-methylsulfonylethyl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(N(C)CCS(C)(=O)=O)n1
InChIInChI=1S/C9H15ClN4O3S/c1-4-17-9-12-7(10)11-8(13-9)14(2)5-6-18(3,15)16/h4-6H2,1-3H3
InChIKeyBGYCAPSNORTDAD-UHFFFAOYSA-N
MW294.76 g/mol
LogP0.40
Rot. Bonds6

About 4-chloro-6-ethoxy-N-methyl-N-(2-methylsulfonylethyl)-1,3,5-triazin-2-amine

4-chloro-6-ethoxy-N-methyl-N-(2-methylsulfonylethyl)-1,3,5-triazin-2-amine (PubChem CID 79865057) has the molecular formula C9H15ClN4O3S and a molecular weight of 294.76 g/mol. Its IUPAC name is 4-chloro-6-ethoxy-N-methyl-N-(2-methylsulfonylethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-ethoxy-N-methyl-N-(2-methylsulfonylethyl)-1,3,5-triazin-2-amine
PubChem CID79865057
Molecular FormulaC9H15ClN4O3S
Molecular Weight294.76 g/mol
Exact Mass294.06
IUPAC Name4-chloro-6-ethoxy-N-methyl-N-(2-methylsulfonylethyl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(N(C)CCS(C)(=O)=O)n1
InChIInChI=1S/C9H15ClN4O3S/c1-4-17-9-12-7(10)11-8(13-9)14(2)5-6-18(3,15)16/h4-6H2,1-3H3
InChIKeyBGYCAPSNORTDAD-UHFFFAOYSA-N
XLogP0.40
TPSA85.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-ethoxy-2-N,4-N-dimethyl-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
CID 80849779
4-chloro-6-ethoxy-N-methyl-N-(3-methylbutyl)-1,3,5-triazin-2-amine
CID 62858043
4-chloro-6-ethoxy-N-methyl-N-propan-2-yl-1,3,5-triazin-2-amine
CID 62857557
6-chloro-4-N-ethyl-2-N-methyl-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
CID 80849700
4-chloro-N-(2,2-dimethylpropyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
CID 62858392
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]-N-propylacetamide
CID 62858047
4-chloro-6-ethoxy-N-propan-2-yl-N-propyl-1,3,5-triazin-2-amine
CID 55124321
6-ethoxy-2-N-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80776108
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-ethylamino]-N,N-dimethylacetamide
CID 55124740
3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylpropan-1-amine
CID 55124601
4-chloro-6-ethoxy-N-(2-methyl-2-methylsulfonylpropyl)-1,3,5-triazin-2-amine
CID 79555926
4-chloro-6-ethoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)-1,3,5-triazin-2-amine
CID 62858546

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethoxy-N-methyl-N-(2-methylsulfonylethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-ethoxy-N-methyl-N-(2-methylsulfonylethyl)-1,3,5-triazin-2-amine (CID 79865057) is 4-chloro-6-ethoxy-N-methyl-N-(2-methylsulfonylethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-ethoxy-N-methyl-N-(2-methylsulfonylethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-ethoxy-N-methyl-N-(2-methylsulfonylethyl)-1,3,5-triazin-2-amine is CCOc1nc(Cl)nc(N(C)CCS(C)(=O)=O)n1.
What is the InChIKey of 4-chloro-6-ethoxy-N-methyl-N-(2-methylsulfonylethyl)-1,3,5-triazin-2-amine?
The InChIKey is BGYCAPSNORTDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4O3S/c1-4-17-9-12-7(10)11-8(13-9)14(2)5-6-18(3,15)16/h4-6H2,1-3H3.
What are the key properties of 4-chloro-6-ethoxy-N-methyl-N-(2-methylsulfonylethyl)-1,3,5-triazin-2-amine?
4-chloro-6-ethoxy-N-methyl-N-(2-methylsulfonylethyl)-1,3,5-triazin-2-amine has a molecular weight of 294.76 g/mol, XLogP of 0.40, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethoxy-N-methyl-N-(2-methylsulfonylethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 79865057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).