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

C15H10ClF3N6 — CID 126550728

IUPAC4-chloro-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine
SMILESCc1cccc(-c2nc(Cl)nc(Nc3ccnc(C(F)(F)F)c3)n2)n1
InChIInChI=1S/C15H10ClF3N6/c1-8-3-2-4-10(21-8)12-23-13(16)25-14(24-12)22-9-5-6-20-11(7-9)15(17,18)19/h2-7H,1H3,(H,20,22,23,24,25)
InChIKeyGBOIPRWZTNBASF-UHFFFAOYSA-N
MW366.73 g/mol
LogP4.05
Rot. Bonds3

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

4-chloro-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine (PubChem CID 126550728) has the molecular formula C15H10ClF3N6 and a molecular weight of 366.73 g/mol. Its IUPAC name is 4-chloro-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine
PubChem CID126550728
Molecular FormulaC15H10ClF3N6
Molecular Weight366.73 g/mol
Exact Mass366.06
IUPAC Name4-chloro-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine
SMILESCc1cccc(-c2nc(Cl)nc(Nc3ccnc(C(F)(F)F)c3)n2)n1
InChIInChI=1S/C15H10ClF3N6/c1-8-3-2-4-10(21-8)12-23-13(16)25-14(24-12)22-9-5-6-20-11(7-9)15(17,18)19/h2-7H,1H3,(H,20,22,23,24,25)
InChIKeyGBOIPRWZTNBASF-UHFFFAOYSA-N
XLogP4.05
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.73
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine (CID 126550728) is 4-chloro-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine is Cc1cccc(-c2nc(Cl)nc(Nc3ccnc(C(F)(F)F)c3)n2)n1.
What is the InChIKey of 4-chloro-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine?
The InChIKey is GBOIPRWZTNBASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N6/c1-8-3-2-4-10(21-8)12-23-13(16)25-14(24-12)22-9-5-6-20-11(7-9)15(17,18)19/h2-7H,1H3,(H,20,22,23,24,25).
What are the key properties of 4-chloro-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine?
4-chloro-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine has a molecular weight of 366.73 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 126550728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).