6-ethoxy-2-N,4-N-dimethyl-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine

C10H19N5O3S — CID 80849779

IUPAC6-ethoxy-2-N,4-N-dimethyl-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NC)nc(N(C)CCS(C)(=O)=O)n1
InChIInChI=1S/C10H19N5O3S/c1-5-18-10-13-8(11-2)12-9(14-10)15(3)6-7-19(4,16)17/h5-7H2,1-4H3,(H,11,12,13,14)
InChIKeyDHMQYAVORDNQBU-UHFFFAOYSA-N
MW289.36 g/mol
LogP-0.21
Rot. Bonds7

About 6-ethoxy-2-N,4-N-dimethyl-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine

6-ethoxy-2-N,4-N-dimethyl-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80849779) has the molecular formula C10H19N5O3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 6-ethoxy-2-N,4-N-dimethyl-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N,4-N-dimethyl-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID80849779
Molecular FormulaC10H19N5O3S
Molecular Weight289.36 g/mol
Exact Mass289.12
IUPAC Name6-ethoxy-2-N,4-N-dimethyl-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NC)nc(N(C)CCS(C)(=O)=O)n1
InChIInChI=1S/C10H19N5O3S/c1-5-18-10-13-8(11-2)12-9(14-10)15(3)6-7-19(4,16)17/h5-7H2,1-4H3,(H,11,12,13,14)
InChIKeyDHMQYAVORDNQBU-UHFFFAOYSA-N
XLogP-0.21
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-ethoxy-2-N,4-N-dimethyl-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

4-chloro-6-ethoxy-N-methyl-N-(2-methylsulfonylethyl)-1,3,5-triazin-2-amine
CID 79865057
6-ethoxy-2-N,4-N-dimethyl-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80782695
2-N-(cyclopropylmethyl)-6-ethoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80797891
6-ethoxy-2-N,4-N-dimethyl-2-N-(2-pyridin-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80749975
6-ethoxy-2-N,2-N-bis(2-methoxyethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80795238
2-N-(cyclohexylmethyl)-6-ethoxy-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80800038
2-N-[3-(dimethylamino)propyl]-2-N,4-N-dimethyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80845422
N-cyclopropyl-2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]acetamide
CID 80820491
2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]-propylamino]-N,N-dimethylacetamide
CID 80785242
2-N,4-N-dimethyl-2-N-(2-methylsulfanylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 112667737
6-chloro-4-N-ethyl-2-N-methyl-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
CID 80849700
2-[cyanomethyl-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetonitrile
CID 80753645

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-N,4-N-dimethyl-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-2-N,4-N-dimethyl-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine (CID 80849779) is 6-ethoxy-2-N,4-N-dimethyl-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-2-N,4-N-dimethyl-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-2-N,4-N-dimethyl-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine is CCOc1nc(NC)nc(N(C)CCS(C)(=O)=O)n1.
What is the InChIKey of 6-ethoxy-2-N,4-N-dimethyl-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is DHMQYAVORDNQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O3S/c1-5-18-10-13-8(11-2)12-9(14-10)15(3)6-7-19(4,16)17/h5-7H2,1-4H3,(H,11,12,13,14).
What are the key properties of 6-ethoxy-2-N,4-N-dimethyl-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine?
6-ethoxy-2-N,4-N-dimethyl-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 289.36 g/mol, XLogP of -0.21, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-N,4-N-dimethyl-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80849779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).