6-chloro-4-N-ethyl-2-N-methyl-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine

C9H16ClN5O2S — CID 80849700

IUPAC6-chloro-4-N-ethyl-2-N-methyl-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(N(C)CCS(C)(=O)=O)n1
InChIInChI=1S/C9H16ClN5O2S/c1-4-11-8-12-7(10)13-9(14-8)15(2)5-6-18(3,16)17/h4-6H2,1-3H3,(H,11,12,13,14)
InChIKeyYIUKSJBXROFDFC-UHFFFAOYSA-N
MW293.78 g/mol
LogP0.44
Rot. Bonds6

About 6-chloro-4-N-ethyl-2-N-methyl-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine

6-chloro-4-N-ethyl-2-N-methyl-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80849700) has the molecular formula C9H16ClN5O2S and a molecular weight of 293.78 g/mol. Its IUPAC name is 6-chloro-4-N-ethyl-2-N-methyl-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-ethyl-2-N-methyl-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID80849700
Molecular FormulaC9H16ClN5O2S
Molecular Weight293.78 g/mol
Exact Mass293.07
IUPAC Name6-chloro-4-N-ethyl-2-N-methyl-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(N(C)CCS(C)(=O)=O)n1
InChIInChI=1S/C9H16ClN5O2S/c1-4-11-8-12-7(10)13-9(14-8)15(2)5-6-18(3,16)17/h4-6H2,1-3H3,(H,11,12,13,14)
InChIKeyYIUKSJBXROFDFC-UHFFFAOYSA-N
XLogP0.44
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-chloro-4-N-ethyl-2-N-methyl-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-chloro-4-N-ethyl-2-N-methyl-2-N-(3-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80796350
4-chloro-6-ethoxy-N-methyl-N-(2-methylsulfonylethyl)-1,3,5-triazin-2-amine
CID 79865057
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-N-methylacetamide
CID 80780722
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-N-propylacetamide
CID 80808415
6-chloro-2-N,2-N-diethyl-4-N-(3-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine
CID 62863799
6-chloro-2-N-ethoxy-4-N-ethyl-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 163693056
6-chloro-4-N-ethyl-2-N-methyl-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine
CID 80792082
6-chloro-2-N,4-N-diethyl-(1,3,5-15N3)1,3,5-triazine-2,4-diamine
CID 91927796
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 19377260
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 5216
3-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropanenitrile
CID 80811299
6-chloro-2-N-(cyclohexylmethyl)-4-N-ethyl-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80800037

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-ethyl-2-N-methyl-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-ethyl-2-N-methyl-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine (CID 80849700) is 6-chloro-4-N-ethyl-2-N-methyl-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-ethyl-2-N-methyl-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-ethyl-2-N-methyl-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine is CCNc1nc(Cl)nc(N(C)CCS(C)(=O)=O)n1.
What is the InChIKey of 6-chloro-4-N-ethyl-2-N-methyl-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is YIUKSJBXROFDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN5O2S/c1-4-11-8-12-7(10)13-9(14-8)15(2)5-6-18(3,16)17/h4-6H2,1-3H3,(H,11,12,13,14).
What are the key properties of 6-chloro-4-N-ethyl-2-N-methyl-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-ethyl-2-N-methyl-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 293.78 g/mol, XLogP of 0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-ethyl-2-N-methyl-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80849700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).