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

C18H15N5O2 — CID 665885

IUPAC6-(1-benzofuran-2-yl)-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccccc1Nc1nc(N)nc(-c2cc3ccccc3o2)n1
InChIInChI=1S/C18H15N5O2/c1-24-14-9-5-3-7-12(14)20-18-22-16(21-17(19)23-18)15-10-11-6-2-4-8-13(11)25-15/h2-10H,1H3,(H3,19,20,21,22,23)
InChIKeyNMHRVLGGFMRWTB-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.62
Rot. Bonds4

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

6-(1-benzofuran-2-yl)-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 665885) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 6-(1-benzofuran-2-yl)-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(1-benzofuran-2-yl)-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID665885
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC Name6-(1-benzofuran-2-yl)-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccccc1Nc1nc(N)nc(-c2cc3ccccc3o2)n1
InChIInChI=1S/C18H15N5O2/c1-24-14-9-5-3-7-12(14)20-18-22-16(21-17(19)23-18)15-10-11-6-2-4-8-13(11)25-15/h2-10H,1H3,(H3,19,20,21,22,23)
InChIKeyNMHRVLGGFMRWTB-UHFFFAOYSA-N
XLogP3.62
TPSA99.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(1-benzofuran-2-yl)-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(1-benzofuran-2-yl)-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine (CID 665885) is 6-(1-benzofuran-2-yl)-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(1-benzofuran-2-yl)-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(1-benzofuran-2-yl)-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine is COc1ccccc1Nc1nc(N)nc(-c2cc3ccccc3o2)n1.
What is the InChIKey of 6-(1-benzofuran-2-yl)-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is NMHRVLGGFMRWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-24-14-9-5-3-7-12(14)20-18-22-16(21-17(19)23-18)15-10-11-6-2-4-8-13(11)25-15/h2-10H,1H3,(H3,19,20,21,22,23).
What are the key properties of 6-(1-benzofuran-2-yl)-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
6-(1-benzofuran-2-yl)-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 333.35 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzofuran-2-yl)-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 665885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).