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

C12H11ClF3N5 — CID 80791134

IUPAC6-chloro-4-N-methyl-2-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(Nc2ccc(C)c(C(F)(F)F)c2)n1
InChIInChI=1S/C12H11ClF3N5/c1-6-3-4-7(5-8(6)12(14,15)16)18-11-20-9(13)19-10(17-2)21-11/h3-5H,1-2H3,(H2,17,18,19,20,21)
InChIKeyIUBWWWQOYZVXPX-UHFFFAOYSA-N
MW317.70 g/mol
LogP3.64
Rot. Bonds3

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

6-chloro-4-N-methyl-2-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 80791134) has the molecular formula C12H11ClF3N5 and a molecular weight of 317.70 g/mol. Its IUPAC name is 6-chloro-4-N-methyl-2-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-methyl-2-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
PubChem CID80791134
Molecular FormulaC12H11ClF3N5
Molecular Weight317.70 g/mol
Exact Mass317.07
IUPAC Name6-chloro-4-N-methyl-2-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(Nc2ccc(C)c(C(F)(F)F)c2)n1
InChIInChI=1S/C12H11ClF3N5/c1-6-3-4-7(5-8(6)12(14,15)16)18-11-20-9(13)19-10(17-2)21-11/h3-5H,1-2H3,(H2,17,18,19,20,21)
InChIKeyIUBWWWQOYZVXPX-UHFFFAOYSA-N
XLogP3.64
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.70
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-4-N-methyl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80760168
2-N-methyl-6-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-2,6-diamine
CID 80812662
6-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 63588805
6-N-methyl-4-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4,6-triamine
CID 80791340
4-N-(3-amino-4-methylphenyl)-2-N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine
CID 20645289
N-chloro-4-methyl-3-(trifluoromethyl)aniline
CID 162568160
6-chloro-2-N-(4-chloro-2-methylphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 114256687
6-chloro-2-N-(3-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80762147
6-chloro-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 63729328
2-N-(1,3-benzothiazol-6-yl)-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 107802028
N-(4-bromo-3-methylphenyl)-4,6-dichloro-1,3,5-triazin-2-amine
CID 55124610
4-chloro-N-(3,4-dimethylphenyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 55124692

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-methyl-2-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-methyl-2-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (CID 80791134) is 6-chloro-4-N-methyl-2-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-methyl-2-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-methyl-2-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is CNc1nc(Cl)nc(Nc2ccc(C)c(C(F)(F)F)c2)n1.
What is the InChIKey of 6-chloro-4-N-methyl-2-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is IUBWWWQOYZVXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF3N5/c1-6-3-4-7(5-8(6)12(14,15)16)18-11-20-9(13)19-10(17-2)21-11/h3-5H,1-2H3,(H2,17,18,19,20,21).
What are the key properties of 6-chloro-4-N-methyl-2-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-methyl-2-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 317.70 g/mol, XLogP of 3.64, 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-methyl-3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80791134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).