2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl N-(2,4-dichlorophenyl)carbamate

C16H20Cl2N6O3 — CID 658358

IUPAC2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl N-(2,4-dichlorophenyl)carbamate
SMILESCN(C)c1nc(OCCOC(=O)Nc2ccc(Cl)cc2Cl)nc(N(C)C)n1
InChIInChI=1S/C16H20Cl2N6O3/c1-23(2)13-20-14(24(3)4)22-15(21-13)26-7-8-27-16(25)19-12-6-5-10(17)9-11(12)18/h5-6,9H,7-8H2,1-4H3,(H,19,25)
InChIKeyZTHKZWQWIXONHG-UHFFFAOYSA-N
MW415.28 g/mol
LogP2.94
Rot. Bonds7

About 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl N-(2,4-dichlorophenyl)carbamate

2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl N-(2,4-dichlorophenyl)carbamate (PubChem CID 658358) has the molecular formula C16H20Cl2N6O3 and a molecular weight of 415.28 g/mol. Its IUPAC name is 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl N-(2,4-dichlorophenyl)carbamate.

Molecular Properties

Compound Name2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl N-(2,4-dichlorophenyl)carbamate
PubChem CID658358
Molecular FormulaC16H20Cl2N6O3
Molecular Weight415.28 g/mol
Exact Mass414.10
IUPAC Name2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl N-(2,4-dichlorophenyl)carbamate
SMILESCN(C)c1nc(OCCOC(=O)Nc2ccc(Cl)cc2Cl)nc(N(C)C)n1
InChIInChI=1S/C16H20Cl2N6O3/c1-23(2)13-20-14(24(3)4)22-15(21-13)26-7-8-27-16(25)19-12-6-5-10(17)9-11(12)18/h5-6,9H,7-8H2,1-4H3,(H,19,25)
InChIKeyZTHKZWQWIXONHG-UHFFFAOYSA-N
XLogP2.94
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.28
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl N-(2,4-dichlorophenyl)carbamate?
The IUPAC name of 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl N-(2,4-dichlorophenyl)carbamate (CID 658358) is 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl N-(2,4-dichlorophenyl)carbamate.
What is the SMILES notation for 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl N-(2,4-dichlorophenyl)carbamate?
The canonical SMILES for 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl N-(2,4-dichlorophenyl)carbamate is CN(C)c1nc(OCCOC(=O)Nc2ccc(Cl)cc2Cl)nc(N(C)C)n1.
What is the InChIKey of 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl N-(2,4-dichlorophenyl)carbamate?
The InChIKey is ZTHKZWQWIXONHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N6O3/c1-23(2)13-20-14(24(3)4)22-15(21-13)26-7-8-27-16(25)19-12-6-5-10(17)9-11(12)18/h5-6,9H,7-8H2,1-4H3,(H,19,25).
What are the key properties of 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl N-(2,4-dichlorophenyl)carbamate?
2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl N-(2,4-dichlorophenyl)carbamate has a molecular weight of 415.28 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl N-(2,4-dichlorophenyl)carbamate is sourced from PubChem (CID 658358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).