2-N-(4-phenylbutan-2-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine

C15H18F3N5O — CID 15376407

IUPAC2-N-(4-phenylbutan-2-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
SMILESCC(CCc1ccccc1)Nc1nc(N)nc(OCC(F)(F)F)n1
InChIInChI=1S/C15H18F3N5O/c1-10(7-8-11-5-3-2-4-6-11)20-13-21-12(19)22-14(23-13)24-9-15(16,17)18/h2-6,10H,7-9H2,1H3,(H3,19,20,21,22,23)
InChIKeyJCOIYPKDCSSYMG-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.83
Rot. Bonds7

About 2-N-(4-phenylbutan-2-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine

2-N-(4-phenylbutan-2-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine (PubChem CID 15376407) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is 2-N-(4-phenylbutan-2-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-phenylbutan-2-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
PubChem CID15376407
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC Name2-N-(4-phenylbutan-2-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
SMILESCC(CCc1ccccc1)Nc1nc(N)nc(OCC(F)(F)F)n1
InChIInChI=1S/C15H18F3N5O/c1-10(7-8-11-5-3-2-4-6-11)20-13-21-12(19)22-14(23-13)24-9-15(16,17)18/h2-6,10H,7-9H2,1H3,(H3,19,20,21,22,23)
InChIKeyJCOIYPKDCSSYMG-UHFFFAOYSA-N
XLogP2.83
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-phenylbutan-2-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-phenylbutan-2-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine (CID 15376407) is 2-N-(4-phenylbutan-2-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-phenylbutan-2-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-phenylbutan-2-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine is CC(CCc1ccccc1)Nc1nc(N)nc(OCC(F)(F)F)n1.
What is the InChIKey of 2-N-(4-phenylbutan-2-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine?
The InChIKey is JCOIYPKDCSSYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O/c1-10(7-8-11-5-3-2-4-6-11)20-13-21-12(19)22-14(23-13)24-9-15(16,17)18/h2-6,10H,7-9H2,1H3,(H3,19,20,21,22,23).
What are the key properties of 2-N-(4-phenylbutan-2-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine?
2-N-(4-phenylbutan-2-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 341.34 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-phenylbutan-2-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 15376407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).