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

C19H17N5O — CID 2043200

IUPAC6-(3-methyl-1-benzofuran-2-yl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1cccc(Nc2nc(N)nc(-c3oc4ccccc4c3C)n2)c1
InChIInChI=1S/C19H17N5O/c1-11-6-5-7-13(10-11)21-19-23-17(22-18(20)24-19)16-12(2)14-8-3-4-9-15(14)25-16/h3-10H,1-2H3,(H3,20,21,22,23,24)
InChIKeyHFRAQUQLSKDGPJ-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.23
Rot. Bonds3

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

6-(3-methyl-1-benzofuran-2-yl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 2043200) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 6-(3-methyl-1-benzofuran-2-yl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(3-methyl-1-benzofuran-2-yl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID2043200
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name6-(3-methyl-1-benzofuran-2-yl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1cccc(Nc2nc(N)nc(-c3oc4ccccc4c3C)n2)c1
InChIInChI=1S/C19H17N5O/c1-11-6-5-7-13(10-11)21-19-23-17(22-18(20)24-19)16-12(2)14-8-3-4-9-15(14)25-16/h3-10H,1-2H3,(H3,20,21,22,23,24)
InChIKeyHFRAQUQLSKDGPJ-UHFFFAOYSA-N
XLogP4.23
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methyl-1-benzofuran-2-yl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(3-methyl-1-benzofuran-2-yl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine (CID 2043200) is 6-(3-methyl-1-benzofuran-2-yl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(3-methyl-1-benzofuran-2-yl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(3-methyl-1-benzofuran-2-yl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine is Cc1cccc(Nc2nc(N)nc(-c3oc4ccccc4c3C)n2)c1.
What is the InChIKey of 6-(3-methyl-1-benzofuran-2-yl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is HFRAQUQLSKDGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-11-6-5-7-13(10-11)21-19-23-17(22-18(20)24-19)16-12(2)14-8-3-4-9-15(14)25-16/h3-10H,1-2H3,(H3,20,21,22,23,24).
What are the key properties of 6-(3-methyl-1-benzofuran-2-yl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine?
6-(3-methyl-1-benzofuran-2-yl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 331.38 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-1-benzofuran-2-yl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 2043200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).