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

C12H12Cl2N4 — CID 59052845

IUPAC4,6-dichloro-N-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-amine
SMILESCc1cc(C)c(Nc2nc(Cl)nc(Cl)n2)c(C)c1
InChIInChI=1S/C12H12Cl2N4/c1-6-4-7(2)9(8(3)5-6)15-12-17-10(13)16-11(14)18-12/h4-5H,1-3H3,(H,15,16,17,18)
InChIKeyNDOFZIKYECXOHW-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.85
Rot. Bonds2

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

4,6-dichloro-N-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-amine (PubChem CID 59052845) has the molecular formula C12H12Cl2N4 and a molecular weight of 283.16 g/mol. Its IUPAC name is 4,6-dichloro-N-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-amine
PubChem CID59052845
Molecular FormulaC12H12Cl2N4
Molecular Weight283.16 g/mol
Exact Mass282.04
IUPAC Name4,6-dichloro-N-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-amine
SMILESCc1cc(C)c(Nc2nc(Cl)nc(Cl)n2)c(C)c1
InChIInChI=1S/C12H12Cl2N4/c1-6-4-7(2)9(8(3)5-6)15-12-17-10(13)16-11(14)18-12/h4-5H,1-3H3,(H,15,16,17,18)
InChIKeyNDOFZIKYECXOHW-UHFFFAOYSA-N
XLogP3.85
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-amine (CID 59052845) is 4,6-dichloro-N-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-amine is Cc1cc(C)c(Nc2nc(Cl)nc(Cl)n2)c(C)c1.
What is the InChIKey of 4,6-dichloro-N-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-amine?
The InChIKey is NDOFZIKYECXOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4/c1-6-4-7(2)9(8(3)5-6)15-12-17-10(13)16-11(14)18-12/h4-5H,1-3H3,(H,15,16,17,18).
What are the key properties of 4,6-dichloro-N-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-amine?
4,6-dichloro-N-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-amine has a molecular weight of 283.16 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 59052845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).