6-N-(3,4-dichlorophenyl)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine

C13H16Cl2N6 — CID 766777

IUPAC6-N-(3,4-dichlorophenyl)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(Nc2ccc(Cl)c(Cl)c2)nc(N(C)C)n1
InChIInChI=1S/C13H16Cl2N6/c1-20(2)12-17-11(18-13(19-12)21(3)4)16-8-5-6-9(14)10(15)7-8/h5-7H,1-4H3,(H,16,17,18,19)
InChIKeyAMBGYJYZJKGTBS-UHFFFAOYSA-N
MW327.22 g/mol
LogP3.05
Rot. Bonds4

About 6-N-(3,4-dichlorophenyl)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine

6-N-(3,4-dichlorophenyl)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 766777) has the molecular formula C13H16Cl2N6 and a molecular weight of 327.22 g/mol. Its IUPAC name is 6-N-(3,4-dichlorophenyl)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-(3,4-dichlorophenyl)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID766777
Molecular FormulaC13H16Cl2N6
Molecular Weight327.22 g/mol
Exact Mass326.08
IUPAC Name6-N-(3,4-dichlorophenyl)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(Nc2ccc(Cl)c(Cl)c2)nc(N(C)C)n1
InChIInChI=1S/C13H16Cl2N6/c1-20(2)12-17-11(18-13(19-12)21(3)4)16-8-5-6-9(14)10(15)7-8/h5-7H,1-4H3,(H,16,17,18,19)
InChIKeyAMBGYJYZJKGTBS-UHFFFAOYSA-N
XLogP3.05
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-(3,4-dichlorophenyl)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-(3,4-dichlorophenyl)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine (CID 766777) is 6-N-(3,4-dichlorophenyl)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-(3,4-dichlorophenyl)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-(3,4-dichlorophenyl)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine is CN(C)c1nc(Nc2ccc(Cl)c(Cl)c2)nc(N(C)C)n1.
What is the InChIKey of 6-N-(3,4-dichlorophenyl)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is AMBGYJYZJKGTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N6/c1-20(2)12-17-11(18-13(19-12)21(3)4)16-8-5-6-9(14)10(15)7-8/h5-7H,1-4H3,(H,16,17,18,19).
What are the key properties of 6-N-(3,4-dichlorophenyl)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine?
6-N-(3,4-dichlorophenyl)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 327.22 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3,4-dichlorophenyl)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 766777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).