2-N,2-N,4-N,4-N-tetramethyl-6-(2,2,2-trichloroethoxy)-1,3,5-triazine-2,4-diamine

C9H14Cl3N5O — CID 777136

IUPAC2-N,2-N,4-N,4-N-tetramethyl-6-(2,2,2-trichloroethoxy)-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(OCC(Cl)(Cl)Cl)nc(N(C)C)n1
InChIInChI=1S/C9H14Cl3N5O/c1-16(2)6-13-7(17(3)4)15-8(14-6)18-5-9(10,11)12/h5H2,1-4H3
InChIKeyXMWKKHCVVFOPTF-UHFFFAOYSA-N
MW314.60 g/mol
LogP1.75
Rot. Bonds4

About 2-N,2-N,4-N,4-N-tetramethyl-6-(2,2,2-trichloroethoxy)-1,3,5-triazine-2,4-diamine

2-N,2-N,4-N,4-N-tetramethyl-6-(2,2,2-trichloroethoxy)-1,3,5-triazine-2,4-diamine (PubChem CID 777136) has the molecular formula C9H14Cl3N5O and a molecular weight of 314.60 g/mol. Its IUPAC name is 2-N,2-N,4-N,4-N-tetramethyl-6-(2,2,2-trichloroethoxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,4-N,4-N-tetramethyl-6-(2,2,2-trichloroethoxy)-1,3,5-triazine-2,4-diamine
PubChem CID777136
Molecular FormulaC9H14Cl3N5O
Molecular Weight314.60 g/mol
Exact Mass313.03
IUPAC Name2-N,2-N,4-N,4-N-tetramethyl-6-(2,2,2-trichloroethoxy)-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(OCC(Cl)(Cl)Cl)nc(N(C)C)n1
InChIInChI=1S/C9H14Cl3N5O/c1-16(2)6-13-7(17(3)4)15-8(14-6)18-5-9(10,11)12/h5H2,1-4H3
InChIKeyXMWKKHCVVFOPTF-UHFFFAOYSA-N
XLogP1.75
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.60
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(2-Chloroethoxy)-N,N,N',N'-tetramethyl-1,3,5-triazine-2,4-diamine
CID 618604
4-(2-Chloroethoxy)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine
CID 598520
4-(2,3-Dichloropropoxy)-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine
CID 598552
6-(2-Chloroethoxy)-N-cyano-N',N'-dimethyl-1,3,5-triazine-2,4-diamine
CID 609921
4-(2-Chloroethoxy)-6-(dimethylamino)-1,3,5-triazin-2-yl(methyl)cyanamide
CID 613524
6-(2-Chloroethoxy)-N-methoxy-N,N',N'-trimethyl-1,3,5-triazine-2,4-diamine
CID 615749
2-Chloroethoxymethyl-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]cyanamide
CID 3091043
4-(2-Chloroethoxy)-6-ethoxy-N,N-dimethyl-1,3,5-triazin-2-amine
CID 23268774
2-Chloro-4-ethoxy-6-dimethylamino-1,3,5-triazine
CID 23338142
6-chloro-2-N,2-N,4-N,4-N-tetrakis(ethoxymethyl)-1,3,5-triazine-2,4-diamine
CID 139744613
[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl][(2-chloroethoxy)methyl]cyanamide
CID 1885131
[4-Chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-(2-chloroethoxymethyl)cyanamide
CID 3091044

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N,4-N-tetramethyl-6-(2,2,2-trichloroethoxy)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N,4-N,4-N-tetramethyl-6-(2,2,2-trichloroethoxy)-1,3,5-triazine-2,4-diamine (CID 777136) is 2-N,2-N,4-N,4-N-tetramethyl-6-(2,2,2-trichloroethoxy)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,4-N,4-N-tetramethyl-6-(2,2,2-trichloroethoxy)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N,4-N,4-N-tetramethyl-6-(2,2,2-trichloroethoxy)-1,3,5-triazine-2,4-diamine is CN(C)c1nc(OCC(Cl)(Cl)Cl)nc(N(C)C)n1.
What is the InChIKey of 2-N,2-N,4-N,4-N-tetramethyl-6-(2,2,2-trichloroethoxy)-1,3,5-triazine-2,4-diamine?
The InChIKey is XMWKKHCVVFOPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14Cl3N5O/c1-16(2)6-13-7(17(3)4)15-8(14-6)18-5-9(10,11)12/h5H2,1-4H3.
What are the key properties of 2-N,2-N,4-N,4-N-tetramethyl-6-(2,2,2-trichloroethoxy)-1,3,5-triazine-2,4-diamine?
2-N,2-N,4-N,4-N-tetramethyl-6-(2,2,2-trichloroethoxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 314.60 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N,4-N-tetramethyl-6-(2,2,2-trichloroethoxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 777136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).