2-N-(4-ethylphenyl)-6-(3-methyl-1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine

C20H19N5O — CID 935611

IUPAC2-N-(4-ethylphenyl)-6-(3-methyl-1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCCc1ccc(Nc2nc(N)nc(-c3oc4ccccc4c3C)n2)cc1
InChIInChI=1S/C20H19N5O/c1-3-13-8-10-14(11-9-13)22-20-24-18(23-19(21)25-20)17-12(2)15-6-4-5-7-16(15)26-17/h4-11H,3H2,1-2H3,(H3,21,22,23,24,25)
InChIKeySNNSDIGYWXNGCC-UHFFFAOYSA-N
MW345.41 g/mol
LogP4.48
Rot. Bonds4

About 2-N-(4-ethylphenyl)-6-(3-methyl-1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine

2-N-(4-ethylphenyl)-6-(3-methyl-1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 935611) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 2-N-(4-ethylphenyl)-6-(3-methyl-1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-ethylphenyl)-6-(3-methyl-1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID935611
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name2-N-(4-ethylphenyl)-6-(3-methyl-1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCCc1ccc(Nc2nc(N)nc(-c3oc4ccccc4c3C)n2)cc1
InChIInChI=1S/C20H19N5O/c1-3-13-8-10-14(11-9-13)22-20-24-18(23-19(21)25-20)17-12(2)15-6-4-5-7-16(15)26-17/h4-11H,3H2,1-2H3,(H3,21,22,23,24,25)
InChIKeySNNSDIGYWXNGCC-UHFFFAOYSA-N
XLogP4.48
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-ethylphenyl)-6-(3-methyl-1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-ethylphenyl)-6-(3-methyl-1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine (CID 935611) is 2-N-(4-ethylphenyl)-6-(3-methyl-1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-ethylphenyl)-6-(3-methyl-1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-ethylphenyl)-6-(3-methyl-1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine is CCc1ccc(Nc2nc(N)nc(-c3oc4ccccc4c3C)n2)cc1.
What is the InChIKey of 2-N-(4-ethylphenyl)-6-(3-methyl-1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is SNNSDIGYWXNGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-3-13-8-10-14(11-9-13)22-20-24-18(23-19(21)25-20)17-12(2)15-6-4-5-7-16(15)26-17/h4-11H,3H2,1-2H3,(H3,21,22,23,24,25).
What are the key properties of 2-N-(4-ethylphenyl)-6-(3-methyl-1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine?
2-N-(4-ethylphenyl)-6-(3-methyl-1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 345.41 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-ethylphenyl)-6-(3-methyl-1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 935611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).