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

C15H18F3N5O — CID 20682203

IUPAC2-N-[4-(4-methoxyphenyl)butan-2-yl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(CCC(C)Nc2nc(N)nc(C(F)(F)F)n2)cc1
InChIInChI=1S/C15H18F3N5O/c1-9(3-4-10-5-7-11(24-2)8-6-10)20-14-22-12(15(16,17)18)21-13(19)23-14/h5-9H,3-4H2,1-2H3,(H3,19,20,21,22,23)
InChIKeyBPJPXWFEXQWWKS-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.91
Rot. Bonds6

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

2-N-[4-(4-methoxyphenyl)butan-2-yl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 20682203) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is 2-N-[4-(4-methoxyphenyl)butan-2-yl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-(4-methoxyphenyl)butan-2-yl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
PubChem CID20682203
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC Name2-N-[4-(4-methoxyphenyl)butan-2-yl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(CCC(C)Nc2nc(N)nc(C(F)(F)F)n2)cc1
InChIInChI=1S/C15H18F3N5O/c1-9(3-4-10-5-7-11(24-2)8-6-10)20-14-22-12(15(16,17)18)21-13(19)23-14/h5-9H,3-4H2,1-2H3,(H3,19,20,21,22,23)
InChIKeyBPJPXWFEXQWWKS-UHFFFAOYSA-N
XLogP2.91
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(4-methoxyphenyl)butan-2-yl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[4-(4-methoxyphenyl)butan-2-yl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine (CID 20682203) is 2-N-[4-(4-methoxyphenyl)butan-2-yl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[4-(4-methoxyphenyl)butan-2-yl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[4-(4-methoxyphenyl)butan-2-yl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine is COc1ccc(CCC(C)Nc2nc(N)nc(C(F)(F)F)n2)cc1.
What is the InChIKey of 2-N-[4-(4-methoxyphenyl)butan-2-yl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is BPJPXWFEXQWWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O/c1-9(3-4-10-5-7-11(24-2)8-6-10)20-14-22-12(15(16,17)18)21-13(19)23-14/h5-9H,3-4H2,1-2H3,(H3,19,20,21,22,23).
What are the key properties of 2-N-[4-(4-methoxyphenyl)butan-2-yl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
2-N-[4-(4-methoxyphenyl)butan-2-yl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 341.34 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(4-methoxyphenyl)butan-2-yl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 20682203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).