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

C14H16F3N5O — CID 22965386

IUPAC6-methyl-2-N-[1-[4-(trifluoromethoxy)phenyl]propyl]-1,3,5-triazine-2,4-diamine
SMILESCCC(Nc1nc(C)nc(N)n1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H16F3N5O/c1-3-11(21-13-20-8(2)19-12(18)22-13)9-4-6-10(7-5-9)23-14(15,16)17/h4-7,11H,3H2,1-2H3,(H3,18,19,20,21,22)
InChIKeySPZPPPGHSGTVDP-UHFFFAOYSA-N
MW327.31 g/mol
LogP3.22
Rot. Bonds5

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

6-methyl-2-N-[1-[4-(trifluoromethoxy)phenyl]propyl]-1,3,5-triazine-2,4-diamine (PubChem CID 22965386) has the molecular formula C14H16F3N5O and a molecular weight of 327.31 g/mol. Its IUPAC name is 6-methyl-2-N-[1-[4-(trifluoromethoxy)phenyl]propyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-2-N-[1-[4-(trifluoromethoxy)phenyl]propyl]-1,3,5-triazine-2,4-diamine
PubChem CID22965386
Molecular FormulaC14H16F3N5O
Molecular Weight327.31 g/mol
Exact Mass327.13
IUPAC Name6-methyl-2-N-[1-[4-(trifluoromethoxy)phenyl]propyl]-1,3,5-triazine-2,4-diamine
SMILESCCC(Nc1nc(C)nc(N)n1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H16F3N5O/c1-3-11(21-13-20-8(2)19-12(18)22-13)9-4-6-10(7-5-9)23-14(15,16)17/h4-7,11H,3H2,1-2H3,(H3,18,19,20,21,22)
InChIKeySPZPPPGHSGTVDP-UHFFFAOYSA-N
XLogP3.22
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-[1-[4-(trifluoromethoxy)phenyl]propyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methyl-2-N-[1-[4-(trifluoromethoxy)phenyl]propyl]-1,3,5-triazine-2,4-diamine (CID 22965386) is 6-methyl-2-N-[1-[4-(trifluoromethoxy)phenyl]propyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methyl-2-N-[1-[4-(trifluoromethoxy)phenyl]propyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methyl-2-N-[1-[4-(trifluoromethoxy)phenyl]propyl]-1,3,5-triazine-2,4-diamine is CCC(Nc1nc(C)nc(N)n1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 6-methyl-2-N-[1-[4-(trifluoromethoxy)phenyl]propyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is SPZPPPGHSGTVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O/c1-3-11(21-13-20-8(2)19-12(18)22-13)9-4-6-10(7-5-9)23-14(15,16)17/h4-7,11H,3H2,1-2H3,(H3,18,19,20,21,22).
What are the key properties of 6-methyl-2-N-[1-[4-(trifluoromethoxy)phenyl]propyl]-1,3,5-triazine-2,4-diamine?
6-methyl-2-N-[1-[4-(trifluoromethoxy)phenyl]propyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 327.31 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-[1-[4-(trifluoromethoxy)phenyl]propyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 22965386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).