6-chloro-4-N-methyl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

C11H9ClF3N5 — CID 80760168

IUPAC6-chloro-4-N-methyl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C11H9ClF3N5/c1-16-9-18-8(12)19-10(20-9)17-7-4-2-6(3-5-7)11(13,14)15/h2-5H,1H3,(H2,16,17,18,19,20)
InChIKeyZMAMVASVHDUKGG-UHFFFAOYSA-N
MW303.68 g/mol
LogP3.33
Rot. Bonds3

About 6-chloro-4-N-methyl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

6-chloro-4-N-methyl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 80760168) has the molecular formula C11H9ClF3N5 and a molecular weight of 303.68 g/mol. Its IUPAC name is 6-chloro-4-N-methyl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-methyl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
PubChem CID80760168
Molecular FormulaC11H9ClF3N5
Molecular Weight303.68 g/mol
Exact Mass303.05
IUPAC Name6-chloro-4-N-methyl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C11H9ClF3N5/c1-16-9-18-8(12)19-10(20-9)17-7-4-2-6(3-5-7)11(13,14)15/h2-5H,1H3,(H2,16,17,18,19,20)
InChIKeyZMAMVASVHDUKGG-UHFFFAOYSA-N
XLogP3.33
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.68
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-chloro-4-N-methyl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N,4-N,6-N-tris[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine
CID 154659659
6-chloro-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80759434
6-chloro-4-N-methyl-2-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80791134
6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-4-N-methyl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 11669890
2-N-(4-tert-butylphenyl)-6-chloro-4-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine
CID 11154803
2-N,6-dimethyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 80760167
6-chloro-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23191
ethane;4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 144664157
2-N-tert-butyl-6-chloro-4-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine
CID 753616
4,6-dichloro-N-[4-(2-methylpentan-2-yl)phenyl]-1,3,5-triazin-2-amine
CID 149100752
4-N-[[3-[[[4-(4-tert-butylanilino)-6-chloro-1,3,5-triazin-2-yl]amino]methyl]phenyl]methyl]-2-N-(4-tert-butylphenyl)-6-chloro-1,3,5-triazine-2,4-diamine
CID 101120335
3-(methylamino)-4-[4-(trifluoromethyl)anilino]cyclobut-3-ene-1,2-dione
CID 164680866

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-methyl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-methyl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (CID 80760168) is 6-chloro-4-N-methyl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-methyl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-methyl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is CNc1nc(Cl)nc(Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 6-chloro-4-N-methyl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is ZMAMVASVHDUKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N5/c1-16-9-18-8(12)19-10(20-9)17-7-4-2-6(3-5-7)11(13,14)15/h2-5H,1H3,(H2,16,17,18,19,20).
What are the key properties of 6-chloro-4-N-methyl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-methyl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 303.68 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-methyl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80760168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).