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

C17H18F3N5O — CID 57052645

IUPAC2-N-[1-(6-propan-2-yl-1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)c1ccc2cc(C(C)Nc3nc(N)nc(C(F)(F)F)n3)oc2c1
InChIInChI=1S/C17H18F3N5O/c1-8(2)10-4-5-11-7-12(26-13(11)6-10)9(3)22-16-24-14(17(18,19)20)23-15(21)25-16/h4-9H,1-3H3,(H3,21,22,23,24,25)
InChIKeyQGLHKZHGIKLCBS-UHFFFAOYSA-N
MW365.36 g/mol
LogP4.52
Rot. Bonds4

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

2-N-[1-(6-propan-2-yl-1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 57052645) has the molecular formula C17H18F3N5O and a molecular weight of 365.36 g/mol. Its IUPAC name is 2-N-[1-(6-propan-2-yl-1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-(6-propan-2-yl-1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
PubChem CID57052645
Molecular FormulaC17H18F3N5O
Molecular Weight365.36 g/mol
Exact Mass365.15
IUPAC Name2-N-[1-(6-propan-2-yl-1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)c1ccc2cc(C(C)Nc3nc(N)nc(C(F)(F)F)n3)oc2c1
InChIInChI=1S/C17H18F3N5O/c1-8(2)10-4-5-11-7-12(26-13(11)6-10)9(3)22-16-24-14(17(18,19)20)23-15(21)25-16/h4-9H,1-3H3,(H3,21,22,23,24,25)
InChIKeyQGLHKZHGIKLCBS-UHFFFAOYSA-N
XLogP4.52
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-[1-(6-propan-2-yl-1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(6-propan-2-yl-1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[1-(6-propan-2-yl-1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine (CID 57052645) is 2-N-[1-(6-propan-2-yl-1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[1-(6-propan-2-yl-1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[1-(6-propan-2-yl-1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine is CC(C)c1ccc2cc(C(C)Nc3nc(N)nc(C(F)(F)F)n3)oc2c1.
What is the InChIKey of 2-N-[1-(6-propan-2-yl-1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is QGLHKZHGIKLCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5O/c1-8(2)10-4-5-11-7-12(26-13(11)6-10)9(3)22-16-24-14(17(18,19)20)23-15(21)25-16/h4-9H,1-3H3,(H3,21,22,23,24,25).
What are the key properties of 2-N-[1-(6-propan-2-yl-1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
2-N-[1-(6-propan-2-yl-1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 365.36 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(6-propan-2-yl-1-benzofuran-2-yl)ethyl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 57052645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).