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

C11H11N5O — CID 11368185

IUPAC6-(1,3-dihydro-2-benzofuran-5-yl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(-c2ccc3c(c2)COC3)n1
InChIInChI=1S/C11H11N5O/c12-10-14-9(15-11(13)16-10)6-1-2-7-4-17-5-8(7)3-6/h1-3H,4-5H2,(H4,12,13,14,15,16)
InChIKeyAJCHTQICAZCGNY-UHFFFAOYSA-N
MW229.24 g/mol
LogP0.73
Rot. Bonds1

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

6-(1,3-dihydro-2-benzofuran-5-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 11368185) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is 6-(1,3-dihydro-2-benzofuran-5-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(1,3-dihydro-2-benzofuran-5-yl)-1,3,5-triazine-2,4-diamine
PubChem CID11368185
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC Name6-(1,3-dihydro-2-benzofuran-5-yl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(-c2ccc3c(c2)COC3)n1
InChIInChI=1S/C11H11N5O/c12-10-14-9(15-11(13)16-10)6-1-2-7-4-17-5-8(7)3-6/h1-3H,4-5H2,(H4,12,13,14,15,16)
InChIKeyAJCHTQICAZCGNY-UHFFFAOYSA-N
XLogP0.73
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dihydro-2-benzofuran-5-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(1,3-dihydro-2-benzofuran-5-yl)-1,3,5-triazine-2,4-diamine (CID 11368185) is 6-(1,3-dihydro-2-benzofuran-5-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(1,3-dihydro-2-benzofuran-5-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(1,3-dihydro-2-benzofuran-5-yl)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(-c2ccc3c(c2)COC3)n1.
What is the InChIKey of 6-(1,3-dihydro-2-benzofuran-5-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is AJCHTQICAZCGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O/c12-10-14-9(15-11(13)16-10)6-1-2-7-4-17-5-8(7)3-6/h1-3H,4-5H2,(H4,12,13,14,15,16).
What are the key properties of 6-(1,3-dihydro-2-benzofuran-5-yl)-1,3,5-triazine-2,4-diamine?
6-(1,3-dihydro-2-benzofuran-5-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 229.24 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dihydro-2-benzofuran-5-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 11368185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).