4-(1-benzofuran-2-yl)-6-ethoxy-1,3,5-triazin-2-amine

C13H12N4O2 — CID 114734487

IUPAC4-(1-benzofuran-2-yl)-6-ethoxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(N)nc(-c2cc3ccccc3o2)n1
InChIInChI=1S/C13H12N4O2/c1-2-18-13-16-11(15-12(14)17-13)10-7-8-5-3-4-6-9(8)19-10/h3-7H,2H2,1H3,(H2,14,15,16,17)
InChIKeyYELZKYJJITVPLD-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.27
Rot. Bonds3

About 4-(1-benzofuran-2-yl)-6-ethoxy-1,3,5-triazin-2-amine

4-(1-benzofuran-2-yl)-6-ethoxy-1,3,5-triazin-2-amine (PubChem CID 114734487) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-6-ethoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-6-ethoxy-1,3,5-triazin-2-amine
PubChem CID114734487
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name4-(1-benzofuran-2-yl)-6-ethoxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(N)nc(-c2cc3ccccc3o2)n1
InChIInChI=1S/C13H12N4O2/c1-2-18-13-16-11(15-12(14)17-13)10-7-8-5-3-4-6-9(8)19-10/h3-7H,2H2,1H3,(H2,14,15,16,17)
InChIKeyYELZKYJJITVPLD-UHFFFAOYSA-N
XLogP2.27
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-benzofuran-2-yl)-4-chloro-6-propoxy-1,3,5-triazine
CID 114734080
4-(1-benzofuran-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 78909353
2-chloro-4-ethoxy-6-(5-fluoro-1-benzofuran-2-yl)-1,3,5-triazine
CID 114734259
4-(1-benzofuran-2-yl)-6-(4-methoxyphenyl)pyrimidin-2-amine
CID 11381541
2,4-bis(1-benzofuran-2-yl)-6-chloro-1,3,5-triazine
CID 176645637
1-[2-(1-benzofuran-2-yl)pyrimidin-5-yl]butan-2-amine
CID 63089399
1-[2-(1-benzofuran-2-yl)-4-methylpyrimidin-5-yl]ethanamine
CID 63090960
2-(1-benzofuran-2-yl)-N-ethylpyrimidin-4-amine
CID 55133578
3-[2-(4-ethoxyphenyl)-2-oxoethyl]chromen-2-one
CID 4087917
4-ethoxy-6-(3-phenyltriazol-4-yl)-1,3,5-triazin-2-amine
CID 114691062
4-ethoxy-6-(3-methylthiophen-2-yl)-1,3,5-triazin-2-amine
CID 79991237
6-(1-benzofuran-2-yl)-4-ethoxypyrido[3,2-d]pyrimidine
CID 69078730

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-6-ethoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(1-benzofuran-2-yl)-6-ethoxy-1,3,5-triazin-2-amine (CID 114734487) is 4-(1-benzofuran-2-yl)-6-ethoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-6-ethoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(1-benzofuran-2-yl)-6-ethoxy-1,3,5-triazin-2-amine is CCOc1nc(N)nc(-c2cc3ccccc3o2)n1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-6-ethoxy-1,3,5-triazin-2-amine?
The InChIKey is YELZKYJJITVPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-2-18-13-16-11(15-12(14)17-13)10-7-8-5-3-4-6-9(8)19-10/h3-7H,2H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-(1-benzofuran-2-yl)-6-ethoxy-1,3,5-triazin-2-amine?
4-(1-benzofuran-2-yl)-6-ethoxy-1,3,5-triazin-2-amine has a molecular weight of 256.26 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-6-ethoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 114734487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).