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

C19H17N5O2 — CID 1248279

IUPAC2-N-(2-methoxyphenyl)-6-(3-methyl-1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccccc1Nc1nc(N)nc(-c2oc3ccccc3c2C)n1
InChIInChI=1S/C19H17N5O2/c1-11-12-7-3-5-9-14(12)26-16(11)17-22-18(20)24-19(23-17)21-13-8-4-6-10-15(13)25-2/h3-10H,1-2H3,(H3,20,21,22,23,24)
InChIKeyIKJLLENRNMKXGA-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.93
Rot. Bonds4

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

2-N-(2-methoxyphenyl)-6-(3-methyl-1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 1248279) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-N-(2-methoxyphenyl)-6-(3-methyl-1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-methoxyphenyl)-6-(3-methyl-1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID1248279
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name2-N-(2-methoxyphenyl)-6-(3-methyl-1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccccc1Nc1nc(N)nc(-c2oc3ccccc3c2C)n1
InChIInChI=1S/C19H17N5O2/c1-11-12-7-3-5-9-14(12)26-16(11)17-22-18(20)24-19(23-17)21-13-8-4-6-10-15(13)25-2/h3-10H,1-2H3,(H3,20,21,22,23,24)
InChIKeyIKJLLENRNMKXGA-UHFFFAOYSA-N
XLogP3.93
TPSA99.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxyphenyl)-6-(3-methyl-1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-methoxyphenyl)-6-(3-methyl-1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine (CID 1248279) is 2-N-(2-methoxyphenyl)-6-(3-methyl-1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-methoxyphenyl)-6-(3-methyl-1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-methoxyphenyl)-6-(3-methyl-1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine is COc1ccccc1Nc1nc(N)nc(-c2oc3ccccc3c2C)n1.
What is the InChIKey of 2-N-(2-methoxyphenyl)-6-(3-methyl-1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is IKJLLENRNMKXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-11-12-7-3-5-9-14(12)26-16(11)17-22-18(20)24-19(23-17)21-13-8-4-6-10-15(13)25-2/h3-10H,1-2H3,(H3,20,21,22,23,24).
What are the key properties of 2-N-(2-methoxyphenyl)-6-(3-methyl-1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine?
2-N-(2-methoxyphenyl)-6-(3-methyl-1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 347.38 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyphenyl)-6-(3-methyl-1-benzofuran-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 1248279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).