4,6-dichloro-N-methyl-N-(3-methylphenyl)-1,3,5-triazin-2-amine

C11H10Cl2N4 — CID 55124750

IUPAC4,6-dichloro-N-methyl-N-(3-methylphenyl)-1,3,5-triazin-2-amine
SMILESCc1cccc(N(C)c2nc(Cl)nc(Cl)n2)c1
InChIInChI=1S/C11H10Cl2N4/c1-7-4-3-5-8(6-7)17(2)11-15-9(12)14-10(13)16-11/h3-6H,1-2H3
InChIKeyKXLHURGYFBJPGA-UHFFFAOYSA-N
MW269.14 g/mol
LogP3.25
Rot. Bonds2

About 4,6-dichloro-N-methyl-N-(3-methylphenyl)-1,3,5-triazin-2-amine

4,6-dichloro-N-methyl-N-(3-methylphenyl)-1,3,5-triazin-2-amine (PubChem CID 55124750) has the molecular formula C11H10Cl2N4 and a molecular weight of 269.14 g/mol. Its IUPAC name is 4,6-dichloro-N-methyl-N-(3-methylphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-methyl-N-(3-methylphenyl)-1,3,5-triazin-2-amine
PubChem CID55124750
Molecular FormulaC11H10Cl2N4
Molecular Weight269.14 g/mol
Exact Mass268.03
IUPAC Name4,6-dichloro-N-methyl-N-(3-methylphenyl)-1,3,5-triazin-2-amine
SMILESCc1cccc(N(C)c2nc(Cl)nc(Cl)n2)c1
InChIInChI=1S/C11H10Cl2N4/c1-7-4-3-5-8(6-7)17(2)11-15-9(12)14-10(13)16-11/h3-6H,1-2H3
InChIKeyKXLHURGYFBJPGA-UHFFFAOYSA-N
XLogP3.25
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-methyl-N-(3-methylphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-methyl-N-(3-methylphenyl)-1,3,5-triazin-2-amine (CID 55124750) is 4,6-dichloro-N-methyl-N-(3-methylphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-methyl-N-(3-methylphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-methyl-N-(3-methylphenyl)-1,3,5-triazin-2-amine is Cc1cccc(N(C)c2nc(Cl)nc(Cl)n2)c1.
What is the InChIKey of 4,6-dichloro-N-methyl-N-(3-methylphenyl)-1,3,5-triazin-2-amine?
The InChIKey is KXLHURGYFBJPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4/c1-7-4-3-5-8(6-7)17(2)11-15-9(12)14-10(13)16-11/h3-6H,1-2H3.
What are the key properties of 4,6-dichloro-N-methyl-N-(3-methylphenyl)-1,3,5-triazin-2-amine?
4,6-dichloro-N-methyl-N-(3-methylphenyl)-1,3,5-triazin-2-amine has a molecular weight of 269.14 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-methyl-N-(3-methylphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 55124750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).