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

C20H19F3N4O2 — CID 164612435

IUPAC4-(4-methoxyphenyl)-6-propyl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
SMILESCCCc1nc(Nc2ccc(OC(F)(F)F)cc2)nc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C20H19F3N4O2/c1-3-4-17-25-18(13-5-9-15(28-2)10-6-13)27-19(26-17)24-14-7-11-16(12-8-14)29-20(21,22)23/h5-12H,3-4H2,1-2H3,(H,24,25,26,27)
InChIKeyRJJTUUIHTZRRCQ-UHFFFAOYSA-N
MW404.39 g/mol
LogP5.14
Rot. Bonds7

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

4-(4-methoxyphenyl)-6-propyl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine (PubChem CID 164612435) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-6-propyl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-6-propyl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
PubChem CID164612435
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC Name4-(4-methoxyphenyl)-6-propyl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
SMILESCCCc1nc(Nc2ccc(OC(F)(F)F)cc2)nc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C20H19F3N4O2/c1-3-4-17-25-18(13-5-9-15(28-2)10-6-13)27-19(26-17)24-14-7-11-16(12-8-14)29-20(21,22)23/h5-12H,3-4H2,1-2H3,(H,24,25,26,27)
InChIKeyRJJTUUIHTZRRCQ-UHFFFAOYSA-N
XLogP5.14
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.39
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-6-propyl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-6-propyl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine (CID 164612435) is 4-(4-methoxyphenyl)-6-propyl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-6-propyl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-6-propyl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine is CCCc1nc(Nc2ccc(OC(F)(F)F)cc2)nc(-c2ccc(OC)cc2)n1.
What is the InChIKey of 4-(4-methoxyphenyl)-6-propyl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine?
The InChIKey is RJJTUUIHTZRRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c1-3-4-17-25-18(13-5-9-15(28-2)10-6-13)27-19(26-17)24-14-7-11-16(12-8-14)29-20(21,22)23/h5-12H,3-4H2,1-2H3,(H,24,25,26,27).
What are the key properties of 4-(4-methoxyphenyl)-6-propyl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine?
4-(4-methoxyphenyl)-6-propyl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine has a molecular weight of 404.39 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-6-propyl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 164612435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).