4-(2,4-dichlorophenyl)-N,N,6-trimethyl-1,3,5-triazin-2-amine

C12H12Cl2N4 — CID 10517068

IUPAC4-(2,4-dichlorophenyl)-N,N,6-trimethyl-1,3,5-triazin-2-amine
SMILESCc1nc(-c2ccc(Cl)cc2Cl)nc(N(C)C)n1
InChIInChI=1S/C12H12Cl2N4/c1-7-15-11(17-12(16-7)18(2)3)9-5-4-8(13)6-10(9)14/h4-6H,1-3H3
InChIKeyJHITZVFXCATIES-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.22
Rot. Bonds2

About 4-(2,4-dichlorophenyl)-N,N,6-trimethyl-1,3,5-triazin-2-amine

4-(2,4-dichlorophenyl)-N,N,6-trimethyl-1,3,5-triazin-2-amine (PubChem CID 10517068) has the molecular formula C12H12Cl2N4 and a molecular weight of 283.16 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-N,N,6-trimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-N,N,6-trimethyl-1,3,5-triazin-2-amine
PubChem CID10517068
Molecular FormulaC12H12Cl2N4
Molecular Weight283.16 g/mol
Exact Mass282.04
IUPAC Name4-(2,4-dichlorophenyl)-N,N,6-trimethyl-1,3,5-triazin-2-amine
SMILESCc1nc(-c2ccc(Cl)cc2Cl)nc(N(C)C)n1
InChIInChI=1S/C12H12Cl2N4/c1-7-15-11(17-12(16-7)18(2)3)9-5-4-8(13)6-10(9)14/h4-6H,1-3H3
InChIKeyJHITZVFXCATIES-UHFFFAOYSA-N
XLogP3.22
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-N,N,6-trimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2,4-dichlorophenyl)-N,N,6-trimethyl-1,3,5-triazin-2-amine (CID 10517068) is 4-(2,4-dichlorophenyl)-N,N,6-trimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-N,N,6-trimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2,4-dichlorophenyl)-N,N,6-trimethyl-1,3,5-triazin-2-amine is Cc1nc(-c2ccc(Cl)cc2Cl)nc(N(C)C)n1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-N,N,6-trimethyl-1,3,5-triazin-2-amine?
The InChIKey is JHITZVFXCATIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4/c1-7-15-11(17-12(16-7)18(2)3)9-5-4-8(13)6-10(9)14/h4-6H,1-3H3.
What are the key properties of 4-(2,4-dichlorophenyl)-N,N,6-trimethyl-1,3,5-triazin-2-amine?
4-(2,4-dichlorophenyl)-N,N,6-trimethyl-1,3,5-triazin-2-amine has a molecular weight of 283.16 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-N,N,6-trimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 10517068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).