6-propan-2-yl-2-N-[1-[3-(trifluoromethyl)phenoxy]butan-2-yl]-1,3,5-triazine-2,4-diamine

C17H22F3N5O — CID 11036020

IUPAC6-propan-2-yl-2-N-[1-[3-(trifluoromethyl)phenoxy]butan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESCCC(COc1cccc(C(F)(F)F)c1)Nc1nc(N)nc(C(C)C)n1
InChIInChI=1S/C17H22F3N5O/c1-4-12(22-16-24-14(10(2)3)23-15(21)25-16)9-26-13-7-5-6-11(8-13)17(18,19)20/h5-8,10,12H,4,9H2,1-3H3,(H3,21,22,23,24,25)
InChIKeyZRLGAALRURCQKD-UHFFFAOYSA-N
MW369.39 g/mol
LogP3.87
Rot. Bonds7

About 6-propan-2-yl-2-N-[1-[3-(trifluoromethyl)phenoxy]butan-2-yl]-1,3,5-triazine-2,4-diamine

6-propan-2-yl-2-N-[1-[3-(trifluoromethyl)phenoxy]butan-2-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 11036020) has the molecular formula C17H22F3N5O and a molecular weight of 369.39 g/mol. Its IUPAC name is 6-propan-2-yl-2-N-[1-[3-(trifluoromethyl)phenoxy]butan-2-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-propan-2-yl-2-N-[1-[3-(trifluoromethyl)phenoxy]butan-2-yl]-1,3,5-triazine-2,4-diamine
PubChem CID11036020
Molecular FormulaC17H22F3N5O
Molecular Weight369.39 g/mol
Exact Mass369.18
IUPAC Name6-propan-2-yl-2-N-[1-[3-(trifluoromethyl)phenoxy]butan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESCCC(COc1cccc(C(F)(F)F)c1)Nc1nc(N)nc(C(C)C)n1
InChIInChI=1S/C17H22F3N5O/c1-4-12(22-16-24-14(10(2)3)23-15(21)25-16)9-26-13-7-5-6-11(8-13)17(18,19)20/h5-8,10,12H,4,9H2,1-3H3,(H3,21,22,23,24,25)
InChIKeyZRLGAALRURCQKD-UHFFFAOYSA-N
XLogP3.87
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-2-N-[1-[3-(trifluoromethyl)phenoxy]butan-2-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-propan-2-yl-2-N-[1-[3-(trifluoromethyl)phenoxy]butan-2-yl]-1,3,5-triazine-2,4-diamine (CID 11036020) is 6-propan-2-yl-2-N-[1-[3-(trifluoromethyl)phenoxy]butan-2-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-propan-2-yl-2-N-[1-[3-(trifluoromethyl)phenoxy]butan-2-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-propan-2-yl-2-N-[1-[3-(trifluoromethyl)phenoxy]butan-2-yl]-1,3,5-triazine-2,4-diamine is CCC(COc1cccc(C(F)(F)F)c1)Nc1nc(N)nc(C(C)C)n1.
What is the InChIKey of 6-propan-2-yl-2-N-[1-[3-(trifluoromethyl)phenoxy]butan-2-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is ZRLGAALRURCQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N5O/c1-4-12(22-16-24-14(10(2)3)23-15(21)25-16)9-26-13-7-5-6-11(8-13)17(18,19)20/h5-8,10,12H,4,9H2,1-3H3,(H3,21,22,23,24,25).
What are the key properties of 6-propan-2-yl-2-N-[1-[3-(trifluoromethyl)phenoxy]butan-2-yl]-1,3,5-triazine-2,4-diamine?
6-propan-2-yl-2-N-[1-[3-(trifluoromethyl)phenoxy]butan-2-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 369.39 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-2-N-[1-[3-(trifluoromethyl)phenoxy]butan-2-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 11036020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).