6-N-(furan-2-ylmethyl)-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine

C20H18N6O — CID 4089891

IUPAC6-N-(furan-2-ylmethyl)-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine
SMILESc1ccc(Nc2nc(NCc3ccco3)nc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C20H18N6O/c1-3-8-15(9-4-1)22-19-24-18(21-14-17-12-7-13-27-17)25-20(26-19)23-16-10-5-2-6-11-16/h1-13H,14H2,(H3,21,22,23,24,25,26)
InChIKeyVBMNXBHAOBMCMX-UHFFFAOYSA-N
MW358.41 g/mol
LogP4.56
Rot. Bonds7

About 6-N-(furan-2-ylmethyl)-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine

6-N-(furan-2-ylmethyl)-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 4089891) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is 6-N-(furan-2-ylmethyl)-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-(furan-2-ylmethyl)-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine
PubChem CID4089891
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC Name6-N-(furan-2-ylmethyl)-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine
SMILESc1ccc(Nc2nc(NCc3ccco3)nc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C20H18N6O/c1-3-8-15(9-4-1)22-19-24-18(21-14-17-12-7-13-27-17)25-20(26-19)23-16-10-5-2-6-11-16/h1-13H,14H2,(H3,21,22,23,24,25,26)
InChIKeyVBMNXBHAOBMCMX-UHFFFAOYSA-N
XLogP4.56
TPSA87.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-N-(furan-2-ylmethyl)-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-(furan-2-ylmethyl)-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine (CID 4089891) is 6-N-(furan-2-ylmethyl)-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-(furan-2-ylmethyl)-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-(furan-2-ylmethyl)-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine is c1ccc(Nc2nc(NCc3ccco3)nc(Nc3ccccc3)n2)cc1.
What is the InChIKey of 6-N-(furan-2-ylmethyl)-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is VBMNXBHAOBMCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c1-3-8-15(9-4-1)22-19-24-18(21-14-17-12-7-13-27-17)25-20(26-19)23-16-10-5-2-6-11-16/h1-13H,14H2,(H3,21,22,23,24,25,26).
What are the key properties of 6-N-(furan-2-ylmethyl)-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine?
6-N-(furan-2-ylmethyl)-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 358.41 g/mol, XLogP of 4.56, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(furan-2-ylmethyl)-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 4089891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).