6-phenyl-4-propan-2-yl-2-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-1,3,5-triazine-2,4-diamine

C18H19F3N6 — CID 152759038

IUPAC6-phenyl-4-propan-2-yl-2-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-1,3,5-triazine-2,4-diamine
SMILESCC(C)C1(N)N=C(Nc2cncc(C(F)(F)F)c2)NC(c2ccccc2)=N1
InChIInChI=1S/C18H19F3N6/c1-11(2)18(22)26-15(12-6-4-3-5-7-12)25-16(27-18)24-14-8-13(9-23-10-14)17(19,20)21/h3-11H,22H2,1-2H3,(H2,24,25,26,27)
InChIKeyBLGXFGYNUMOOIJ-UHFFFAOYSA-N
MW376.39 g/mol
LogP3.19
Rot. Bonds3

About 6-phenyl-4-propan-2-yl-2-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-1,3,5-triazine-2,4-diamine

6-phenyl-4-propan-2-yl-2-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-1,3,5-triazine-2,4-diamine (PubChem CID 152759038) has the molecular formula C18H19F3N6 and a molecular weight of 376.39 g/mol. Its IUPAC name is 6-phenyl-4-propan-2-yl-2-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-phenyl-4-propan-2-yl-2-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-1,3,5-triazine-2,4-diamine
PubChem CID152759038
Molecular FormulaC18H19F3N6
Molecular Weight376.39 g/mol
Exact Mass376.16
IUPAC Name6-phenyl-4-propan-2-yl-2-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-1,3,5-triazine-2,4-diamine
SMILESCC(C)C1(N)N=C(Nc2cncc(C(F)(F)F)c2)NC(c2ccccc2)=N1
InChIInChI=1S/C18H19F3N6/c1-11(2)18(22)26-15(12-6-4-3-5-7-12)25-16(27-18)24-14-8-13(9-23-10-14)17(19,20)21/h3-11H,22H2,1-2H3,(H2,24,25,26,27)
InChIKeyBLGXFGYNUMOOIJ-UHFFFAOYSA-N
XLogP3.19
TPSA87.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-4-propan-2-yl-2-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-phenyl-4-propan-2-yl-2-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-1,3,5-triazine-2,4-diamine (CID 152759038) is 6-phenyl-4-propan-2-yl-2-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-phenyl-4-propan-2-yl-2-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-phenyl-4-propan-2-yl-2-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-1,3,5-triazine-2,4-diamine is CC(C)C1(N)N=C(Nc2cncc(C(F)(F)F)c2)NC(c2ccccc2)=N1.
What is the InChIKey of 6-phenyl-4-propan-2-yl-2-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-1,3,5-triazine-2,4-diamine?
The InChIKey is BLGXFGYNUMOOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N6/c1-11(2)18(22)26-15(12-6-4-3-5-7-12)25-16(27-18)24-14-8-13(9-23-10-14)17(19,20)21/h3-11H,22H2,1-2H3,(H2,24,25,26,27).
What are the key properties of 6-phenyl-4-propan-2-yl-2-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-1,3,5-triazine-2,4-diamine?
6-phenyl-4-propan-2-yl-2-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-1,3,5-triazine-2,4-diamine has a molecular weight of 376.39 g/mol, XLogP of 3.19, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-4-propan-2-yl-2-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 152759038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).