2-N-(3,4-dichlorophenyl)-4-N-[3-(dimethylamino)propyl]-6-(trichloromethyl)-1,3,5-triazine-2,4-diamine

C15H17Cl5N6 — CID 134261293

IUPAC2-N-(3,4-dichlorophenyl)-4-N-[3-(dimethylamino)propyl]-6-(trichloromethyl)-1,3,5-triazine-2,4-diamine
SMILESCN(C)CCCNc1nc(Nc2ccc(Cl)c(Cl)c2)nc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C15H17Cl5N6/c1-26(2)7-3-6-21-13-23-12(15(18,19)20)24-14(25-13)22-9-4-5-10(16)11(17)8-9/h4-5,8H,3,6-7H2,1-2H3,(H2,21,22,23,24,25)
InChIKeyJMOHXDZTNHIDFH-UHFFFAOYSA-N
MW458.61 g/mol
LogP5.11
Rot. Bonds7

About 2-N-(3,4-dichlorophenyl)-4-N-[3-(dimethylamino)propyl]-6-(trichloromethyl)-1,3,5-triazine-2,4-diamine

2-N-(3,4-dichlorophenyl)-4-N-[3-(dimethylamino)propyl]-6-(trichloromethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 134261293) has the molecular formula C15H17Cl5N6 and a molecular weight of 458.61 g/mol. Its IUPAC name is 2-N-(3,4-dichlorophenyl)-4-N-[3-(dimethylamino)propyl]-6-(trichloromethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,4-dichlorophenyl)-4-N-[3-(dimethylamino)propyl]-6-(trichloromethyl)-1,3,5-triazine-2,4-diamine
PubChem CID134261293
Molecular FormulaC15H17Cl5N6
Molecular Weight458.61 g/mol
Exact Mass456.00
IUPAC Name2-N-(3,4-dichlorophenyl)-4-N-[3-(dimethylamino)propyl]-6-(trichloromethyl)-1,3,5-triazine-2,4-diamine
SMILESCN(C)CCCNc1nc(Nc2ccc(Cl)c(Cl)c2)nc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C15H17Cl5N6/c1-26(2)7-3-6-21-13-23-12(15(18,19)20)24-14(25-13)22-9-4-5-10(16)11(17)8-9/h4-5,8H,3,6-7H2,1-2H3,(H2,21,22,23,24,25)
InChIKeyJMOHXDZTNHIDFH-UHFFFAOYSA-N
XLogP5.11
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.61
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-N-(3,4-dichlorophenyl)-5-N-[3-(dimethylamino)propyl]-1,2,4-triazine-3,5-diamine
CID 112945576
2-N-(4-aminophenyl)-4-N,6-N-bis[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine
CID 58722838
N-[4-(3-chlorophenyl)-6-(trichloromethyl)-1,3,5-triazin-2-yl]-N',N'-dimethylpropane-1,3-diamine
CID 118250312
N',N'-dimethyl-N-[4-(trichloromethyl)-6-[4-(trichloromethyl)phenyl]-1,3,5-triazin-2-yl]propane-1,3-diamine
CID 134261357
4-N-(3,4-dichlorophenyl)-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80769203
2-N-(3-chloro-4-methylphenyl)-4-N-[3-(dimethylamino)propyl]-6-phenylpyrimidine-2,4-diamine
CID 112936136
2-N,4-N-bis[(4-chlorophenyl)methyl]-6-N-[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine
CID 56646930
2-chloro-4-N-[3-(dimethylamino)propyl]benzene-1,4-diamine
CID 126636290
2-N-(3,4-dichlorophenyl)-6-[3-(dimethylamino)propyl]-5-nitropyrimidine-2,4-diamine
CID 21077383
2-[4-(2-hydroxyethylamino)-6-(trichloromethyl)-1,3,5-triazin-2-yl]propan-2-ol
CID 110178189
N',N'-diethyl-N-[4-(trichloromethyl)-6-[3-(trichloromethyl)phenyl]-1,3,5-triazin-2-yl]propane-1,3-diamine
CID 118250230
4-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112913100

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-dichlorophenyl)-4-N-[3-(dimethylamino)propyl]-6-(trichloromethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3,4-dichlorophenyl)-4-N-[3-(dimethylamino)propyl]-6-(trichloromethyl)-1,3,5-triazine-2,4-diamine (CID 134261293) is 2-N-(3,4-dichlorophenyl)-4-N-[3-(dimethylamino)propyl]-6-(trichloromethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3,4-dichlorophenyl)-4-N-[3-(dimethylamino)propyl]-6-(trichloromethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3,4-dichlorophenyl)-4-N-[3-(dimethylamino)propyl]-6-(trichloromethyl)-1,3,5-triazine-2,4-diamine is CN(C)CCCNc1nc(Nc2ccc(Cl)c(Cl)c2)nc(C(Cl)(Cl)Cl)n1.
What is the InChIKey of 2-N-(3,4-dichlorophenyl)-4-N-[3-(dimethylamino)propyl]-6-(trichloromethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is JMOHXDZTNHIDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl5N6/c1-26(2)7-3-6-21-13-23-12(15(18,19)20)24-14(25-13)22-9-4-5-10(16)11(17)8-9/h4-5,8H,3,6-7H2,1-2H3,(H2,21,22,23,24,25).
What are the key properties of 2-N-(3,4-dichlorophenyl)-4-N-[3-(dimethylamino)propyl]-6-(trichloromethyl)-1,3,5-triazine-2,4-diamine?
2-N-(3,4-dichlorophenyl)-4-N-[3-(dimethylamino)propyl]-6-(trichloromethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 458.61 g/mol, XLogP of 5.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-dichlorophenyl)-4-N-[3-(dimethylamino)propyl]-6-(trichloromethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 134261293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).