2-N,4-N-bis(furan-2-ylmethyl)-6-phenoxy-1,3,5-triazine-2,4-diamine

C19H17N5O3 — CID 654770

IUPAC2-N,4-N-bis(furan-2-ylmethyl)-6-phenoxy-1,3,5-triazine-2,4-diamine
SMILESc1ccc(Oc2nc(NCc3ccco3)nc(NCc3ccco3)n2)cc1
InChIInChI=1S/C19H17N5O3/c1-2-6-14(7-3-1)27-19-23-17(20-12-15-8-4-10-25-15)22-18(24-19)21-13-16-9-5-11-26-16/h1-11H,12-13H2,(H2,20,21,22,23,24)
InChIKeyAMKVHBJHDVSIQE-UHFFFAOYSA-N
MW363.38 g/mol
LogP4.07
Rot. Bonds8

About 2-N,4-N-bis(furan-2-ylmethyl)-6-phenoxy-1,3,5-triazine-2,4-diamine

2-N,4-N-bis(furan-2-ylmethyl)-6-phenoxy-1,3,5-triazine-2,4-diamine (PubChem CID 654770) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is 2-N,4-N-bis(furan-2-ylmethyl)-6-phenoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(furan-2-ylmethyl)-6-phenoxy-1,3,5-triazine-2,4-diamine
PubChem CID654770
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC Name2-N,4-N-bis(furan-2-ylmethyl)-6-phenoxy-1,3,5-triazine-2,4-diamine
SMILESc1ccc(Oc2nc(NCc3ccco3)nc(NCc3ccco3)n2)cc1
InChIInChI=1S/C19H17N5O3/c1-2-6-14(7-3-1)27-19-23-17(20-12-15-8-4-10-25-15)22-18(24-19)21-13-16-9-5-11-26-16/h1-11H,12-13H2,(H2,20,21,22,23,24)
InChIKeyAMKVHBJHDVSIQE-UHFFFAOYSA-N
XLogP4.07
TPSA98.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(furan-2-ylmethyl)-6-phenoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(furan-2-ylmethyl)-6-phenoxy-1,3,5-triazine-2,4-diamine (CID 654770) is 2-N,4-N-bis(furan-2-ylmethyl)-6-phenoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(furan-2-ylmethyl)-6-phenoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(furan-2-ylmethyl)-6-phenoxy-1,3,5-triazine-2,4-diamine is c1ccc(Oc2nc(NCc3ccco3)nc(NCc3ccco3)n2)cc1.
What is the InChIKey of 2-N,4-N-bis(furan-2-ylmethyl)-6-phenoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is AMKVHBJHDVSIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-2-6-14(7-3-1)27-19-23-17(20-12-15-8-4-10-25-15)22-18(24-19)21-13-16-9-5-11-26-16/h1-11H,12-13H2,(H2,20,21,22,23,24).
What are the key properties of 2-N,4-N-bis(furan-2-ylmethyl)-6-phenoxy-1,3,5-triazine-2,4-diamine?
2-N,4-N-bis(furan-2-ylmethyl)-6-phenoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 363.38 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(furan-2-ylmethyl)-6-phenoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 654770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).