N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(5-methoxy-1-benzofuran-2-yl)-1,3,5-triazin-2-amine

C21H19FN4O3 — CID 71599358

IUPACN-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(5-methoxy-1-benzofuran-2-yl)-1,3,5-triazin-2-amine
SMILESCOc1ccc2oc(-c3nc(NCCc4ccc(F)cc4)nc(OC)n3)cc2c1
InChIInChI=1S/C21H19FN4O3/c1-27-16-7-8-17-14(11-16)12-18(29-17)19-24-20(26-21(25-19)28-2)23-10-9-13-3-5-15(22)6-4-13/h3-8,11-12H,9-10H2,1-2H3,(H,23,24,25,26)
InChIKeyYNMKZKZXKQRRGD-UHFFFAOYSA-N
MW394.41 g/mol
LogP4.10
Rot. Bonds7

About N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(5-methoxy-1-benzofuran-2-yl)-1,3,5-triazin-2-amine

N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(5-methoxy-1-benzofuran-2-yl)-1,3,5-triazin-2-amine (PubChem CID 71599358) has the molecular formula C21H19FN4O3 and a molecular weight of 394.41 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(5-methoxy-1-benzofuran-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(5-methoxy-1-benzofuran-2-yl)-1,3,5-triazin-2-amine
PubChem CID71599358
Molecular FormulaC21H19FN4O3
Molecular Weight394.41 g/mol
Exact Mass394.14
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(5-methoxy-1-benzofuran-2-yl)-1,3,5-triazin-2-amine
SMILESCOc1ccc2oc(-c3nc(NCCc4ccc(F)cc4)nc(OC)n3)cc2c1
InChIInChI=1S/C21H19FN4O3/c1-27-16-7-8-17-14(11-16)12-18(29-17)19-24-20(26-21(25-19)28-2)23-10-9-13-3-5-15(22)6-4-13/h3-8,11-12H,9-10H2,1-2H3,(H,23,24,25,26)
InChIKeyYNMKZKZXKQRRGD-UHFFFAOYSA-N
XLogP4.10
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(5-methoxy-1-benzofuran-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(5-methoxy-1-benzofuran-2-yl)-1,3,5-triazin-2-amine (CID 71599358) is N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(5-methoxy-1-benzofuran-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(5-methoxy-1-benzofuran-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(5-methoxy-1-benzofuran-2-yl)-1,3,5-triazin-2-amine is COc1ccc2oc(-c3nc(NCCc4ccc(F)cc4)nc(OC)n3)cc2c1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(5-methoxy-1-benzofuran-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is YNMKZKZXKQRRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O3/c1-27-16-7-8-17-14(11-16)12-18(29-17)19-24-20(26-21(25-19)28-2)23-10-9-13-3-5-15(22)6-4-13/h3-8,11-12H,9-10H2,1-2H3,(H,23,24,25,26).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(5-methoxy-1-benzofuran-2-yl)-1,3,5-triazin-2-amine?
N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(5-methoxy-1-benzofuran-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 394.41 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(5-methoxy-1-benzofuran-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 71599358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).