2-N-[1-(5-methoxy-1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine

C15H14F3N5O2 — CID 57015188

IUPAC2-N-[1-(5-methoxy-1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc2oc(C(C)Nc3nc(N)nc(C(F)(F)F)n3)cc2c1
InChIInChI=1S/C15H14F3N5O2/c1-7(11-6-8-5-9(24-2)3-4-10(8)25-11)20-14-22-12(15(16,17)18)21-13(19)23-14/h3-7H,1-2H3,(H3,19,20,21,22,23)
InChIKeyTUFNSEZJZQUDTC-UHFFFAOYSA-N
MW353.30 g/mol
LogP3.40
Rot. Bonds4

About 2-N-[1-(5-methoxy-1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine

2-N-[1-(5-methoxy-1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 57015188) has the molecular formula C15H14F3N5O2 and a molecular weight of 353.30 g/mol. Its IUPAC name is 2-N-[1-(5-methoxy-1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-(5-methoxy-1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
PubChem CID57015188
Molecular FormulaC15H14F3N5O2
Molecular Weight353.30 g/mol
Exact Mass353.11
IUPAC Name2-N-[1-(5-methoxy-1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc2oc(C(C)Nc3nc(N)nc(C(F)(F)F)n3)cc2c1
InChIInChI=1S/C15H14F3N5O2/c1-7(11-6-8-5-9(24-2)3-4-10(8)25-11)20-14-22-12(15(16,17)18)21-13(19)23-14/h3-7H,1-2H3,(H3,19,20,21,22,23)
InChIKeyTUFNSEZJZQUDTC-UHFFFAOYSA-N
XLogP3.40
TPSA99.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(5-methoxy-1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[1-(5-methoxy-1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine (CID 57015188) is 2-N-[1-(5-methoxy-1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[1-(5-methoxy-1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[1-(5-methoxy-1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine is COc1ccc2oc(C(C)Nc3nc(N)nc(C(F)(F)F)n3)cc2c1.
What is the InChIKey of 2-N-[1-(5-methoxy-1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is TUFNSEZJZQUDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5O2/c1-7(11-6-8-5-9(24-2)3-4-10(8)25-11)20-14-22-12(15(16,17)18)21-13(19)23-14/h3-7H,1-2H3,(H3,19,20,21,22,23).
What are the key properties of 2-N-[1-(5-methoxy-1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
2-N-[1-(5-methoxy-1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 353.30 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(5-methoxy-1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 57015188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).