6-chloro-2-N,2-N-dimethyl-4-N-(2,4,5-trichlorophenyl)-1,3,5-triazine-2,4-diamine

C11H9Cl4N5 — CID 63549392

IUPAC6-chloro-2-N,2-N-dimethyl-4-N-(2,4,5-trichlorophenyl)-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(Cl)nc(Nc2cc(Cl)c(Cl)cc2Cl)n1
InChIInChI=1S/C11H9Cl4N5/c1-20(2)11-18-9(15)17-10(19-11)16-8-4-6(13)5(12)3-7(8)14/h3-4H,1-2H3,(H,16,17,18,19)
InChIKeyGOFISVMXQUBKQF-UHFFFAOYSA-N
MW353.04 g/mol
LogP4.29
Rot. Bonds3

About 6-chloro-2-N,2-N-dimethyl-4-N-(2,4,5-trichlorophenyl)-1,3,5-triazine-2,4-diamine

6-chloro-2-N,2-N-dimethyl-4-N-(2,4,5-trichlorophenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 63549392) has the molecular formula C11H9Cl4N5 and a molecular weight of 353.04 g/mol. Its IUPAC name is 6-chloro-2-N,2-N-dimethyl-4-N-(2,4,5-trichlorophenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,2-N-dimethyl-4-N-(2,4,5-trichlorophenyl)-1,3,5-triazine-2,4-diamine
PubChem CID63549392
Molecular FormulaC11H9Cl4N5
Molecular Weight353.04 g/mol
Exact Mass350.96
IUPAC Name6-chloro-2-N,2-N-dimethyl-4-N-(2,4,5-trichlorophenyl)-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(Cl)nc(Nc2cc(Cl)c(Cl)cc2Cl)n1
InChIInChI=1S/C11H9Cl4N5/c1-20(2)11-18-9(15)17-10(19-11)16-8-4-6(13)5(12)3-7(8)14/h3-4H,1-2H3,(H,16,17,18,19)
InChIKeyGOFISVMXQUBKQF-UHFFFAOYSA-N
XLogP4.29
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.04
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-N,2-N,6-N-trimethyl-4-N-(2,4,5-trichlorophenyl)-1,3,5-triazine-2,4,6-triamine
CID 80748181
6-chloro-4-N-(2,5-dichlorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 55124757
6-chloro-4-N-(2,6-dichloro-4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 83077703
6-chloro-4-N-ethyl-2-N-(2,4,5-trichlorophenyl)-1,3,5-triazine-2,4-diamine
CID 80759661
4-N-(5-bromo-2,4-difluorophenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 102854503
4-N-(4-bromo-2-fluorophenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62869327
6-chloro-4-N-(2-chloro-4,6-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 83088077
5-bromo-2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 82703983
4-N-(3-bromo-5-methylphenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 107576918
4-N-(2-chloro-4-fluorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80756294
4-N-(2-chloro-4-iodophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 107604708
6-chloro-4-N-(4-ethylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62868831

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,2-N-dimethyl-4-N-(2,4,5-trichlorophenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,2-N-dimethyl-4-N-(2,4,5-trichlorophenyl)-1,3,5-triazine-2,4-diamine (CID 63549392) is 6-chloro-2-N,2-N-dimethyl-4-N-(2,4,5-trichlorophenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,2-N-dimethyl-4-N-(2,4,5-trichlorophenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,2-N-dimethyl-4-N-(2,4,5-trichlorophenyl)-1,3,5-triazine-2,4-diamine is CN(C)c1nc(Cl)nc(Nc2cc(Cl)c(Cl)cc2Cl)n1.
What is the InChIKey of 6-chloro-2-N,2-N-dimethyl-4-N-(2,4,5-trichlorophenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is GOFISVMXQUBKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl4N5/c1-20(2)11-18-9(15)17-10(19-11)16-8-4-6(13)5(12)3-7(8)14/h3-4H,1-2H3,(H,16,17,18,19).
What are the key properties of 6-chloro-2-N,2-N-dimethyl-4-N-(2,4,5-trichlorophenyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,2-N-dimethyl-4-N-(2,4,5-trichlorophenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 353.04 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,2-N-dimethyl-4-N-(2,4,5-trichlorophenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 63549392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).