4-chloro-6-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine

C17H12ClF3N4O — CID 164615307

IUPAC4-chloro-6-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
SMILESCOc1ccc(-c2nc(Cl)nc(Nc3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C17H12ClF3N4O/c1-26-13-8-2-10(3-9-13)14-23-15(18)25-16(24-14)22-12-6-4-11(5-7-12)17(19,20)21/h2-9H,1H3,(H,22,23,24,25)
InChIKeyMVVXDWITXIZDFI-UHFFFAOYSA-N
MW380.76 g/mol
LogP4.96
Rot. Bonds4

About 4-chloro-6-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine

4-chloro-6-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine (PubChem CID 164615307) has the molecular formula C17H12ClF3N4O and a molecular weight of 380.76 g/mol. Its IUPAC name is 4-chloro-6-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
PubChem CID164615307
Molecular FormulaC17H12ClF3N4O
Molecular Weight380.76 g/mol
Exact Mass380.07
IUPAC Name4-chloro-6-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
SMILESCOc1ccc(-c2nc(Cl)nc(Nc3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C17H12ClF3N4O/c1-26-13-8-2-10(3-9-13)14-23-15(18)25-16(24-14)22-12-6-4-11(5-7-12)17(19,20)21/h2-9H,1H3,(H,22,23,24,25)
InChIKeyMVVXDWITXIZDFI-UHFFFAOYSA-N
XLogP4.96
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.76
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine (CID 164615307) is 4-chloro-6-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine is COc1ccc(-c2nc(Cl)nc(Nc3ccc(C(F)(F)F)cc3)n2)cc1.
What is the InChIKey of 4-chloro-6-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The InChIKey is MVVXDWITXIZDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N4O/c1-26-13-8-2-10(3-9-13)14-23-15(18)25-16(24-14)22-12-6-4-11(5-7-12)17(19,20)21/h2-9H,1H3,(H,22,23,24,25).
What are the key properties of 4-chloro-6-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
4-chloro-6-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine has a molecular weight of 380.76 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 164615307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).