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

C18H15N5O — CID 666284

IUPAC6-(3-methyl-1-benzofuran-2-yl)-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCc1c(-c2nc(N)nc(Nc3ccccc3)n2)oc2ccccc12
InChIInChI=1S/C18H15N5O/c1-11-13-9-5-6-10-14(13)24-15(11)16-21-17(19)23-18(22-16)20-12-7-3-2-4-8-12/h2-10H,1H3,(H3,19,20,21,22,23)
InChIKeyWNOJMYQYKBXNCP-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.92
Rot. Bonds3

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

6-(3-methyl-1-benzofuran-2-yl)-2-N-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 666284) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 6-(3-methyl-1-benzofuran-2-yl)-2-N-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(3-methyl-1-benzofuran-2-yl)-2-N-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID666284
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name6-(3-methyl-1-benzofuran-2-yl)-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCc1c(-c2nc(N)nc(Nc3ccccc3)n2)oc2ccccc12
InChIInChI=1S/C18H15N5O/c1-11-13-9-5-6-10-14(13)24-15(11)16-21-17(19)23-18(22-16)20-12-7-3-2-4-8-12/h2-10H,1H3,(H3,19,20,21,22,23)
InChIKeyWNOJMYQYKBXNCP-UHFFFAOYSA-N
XLogP3.92
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.92
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-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(3-methyl-1-benzofuran-2-yl)-2-N-phenyl-1,3,5-triazine-2,4-diamine (CID 666284) is 6-(3-methyl-1-benzofuran-2-yl)-2-N-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(3-methyl-1-benzofuran-2-yl)-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(3-methyl-1-benzofuran-2-yl)-2-N-phenyl-1,3,5-triazine-2,4-diamine is Cc1c(-c2nc(N)nc(Nc3ccccc3)n2)oc2ccccc12.
What is the InChIKey of 6-(3-methyl-1-benzofuran-2-yl)-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is WNOJMYQYKBXNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-11-13-9-5-6-10-14(13)24-15(11)16-21-17(19)23-18(22-16)20-12-7-3-2-4-8-12/h2-10H,1H3,(H3,19,20,21,22,23).
What are the key properties of 6-(3-methyl-1-benzofuran-2-yl)-2-N-phenyl-1,3,5-triazine-2,4-diamine?
6-(3-methyl-1-benzofuran-2-yl)-2-N-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 317.35 g/mol, XLogP of 3.92, 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-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 666284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).