4-[4,6-bis(3,6-dihydro-2H-pyran-4-yl)-1,3,5-triazin-2-yl]aniline;ethane

C21H26N4O2 — CID 143899778

IUPAC4-[4,6-bis(3,6-dihydro-2H-pyran-4-yl)-1,3,5-triazin-2-yl]aniline;ethane
SMILESCC.Nc1ccc(-c2nc(C3=CCOCC3)nc(C3=CCOCC3)n2)cc1
InChIInChI=1S/C19H20N4O2.C2H6/c20-16-3-1-13(2-4-16)17-21-18(14-5-9-24-10-6-14)23-19(22-17)15-7-11-25-12-8-15;1-2/h1-5,7H,6,8-12,20H2;1-2H3
InChIKeyFQNZZMWDICTTHT-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.75
Rot. Bonds3

About 4-[4,6-bis(3,6-dihydro-2H-pyran-4-yl)-1,3,5-triazin-2-yl]aniline;ethane

4-[4,6-bis(3,6-dihydro-2H-pyran-4-yl)-1,3,5-triazin-2-yl]aniline;ethane (PubChem CID 143899778) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 4-[4,6-bis(3,6-dihydro-2H-pyran-4-yl)-1,3,5-triazin-2-yl]aniline;ethane.

Molecular Properties

Compound Name4-[4,6-bis(3,6-dihydro-2H-pyran-4-yl)-1,3,5-triazin-2-yl]aniline;ethane
PubChem CID143899778
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name4-[4,6-bis(3,6-dihydro-2H-pyran-4-yl)-1,3,5-triazin-2-yl]aniline;ethane
SMILESCC.Nc1ccc(-c2nc(C3=CCOCC3)nc(C3=CCOCC3)n2)cc1
InChIInChI=1S/C19H20N4O2.C2H6/c20-16-3-1-13(2-4-16)17-21-18(14-5-9-24-10-6-14)23-19(22-17)15-7-11-25-12-8-15;1-2/h1-5,7H,6,8-12,20H2;1-2H3
InChIKeyFQNZZMWDICTTHT-UHFFFAOYSA-N
XLogP3.75
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4,6-bis(3,6-dihydro-2H-pyran-4-yl)-1,3,5-triazin-2-yl]aniline;ethane?
The IUPAC name of 4-[4,6-bis(3,6-dihydro-2H-pyran-4-yl)-1,3,5-triazin-2-yl]aniline;ethane (CID 143899778) is 4-[4,6-bis(3,6-dihydro-2H-pyran-4-yl)-1,3,5-triazin-2-yl]aniline;ethane.
What is the SMILES notation for 4-[4,6-bis(3,6-dihydro-2H-pyran-4-yl)-1,3,5-triazin-2-yl]aniline;ethane?
The canonical SMILES for 4-[4,6-bis(3,6-dihydro-2H-pyran-4-yl)-1,3,5-triazin-2-yl]aniline;ethane is CC.Nc1ccc(-c2nc(C3=CCOCC3)nc(C3=CCOCC3)n2)cc1.
What is the InChIKey of 4-[4,6-bis(3,6-dihydro-2H-pyran-4-yl)-1,3,5-triazin-2-yl]aniline;ethane?
The InChIKey is FQNZZMWDICTTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2.C2H6/c20-16-3-1-13(2-4-16)17-21-18(14-5-9-24-10-6-14)23-19(22-17)15-7-11-25-12-8-15;1-2/h1-5,7H,6,8-12,20H2;1-2H3.
What are the key properties of 4-[4,6-bis(3,6-dihydro-2H-pyran-4-yl)-1,3,5-triazin-2-yl]aniline;ethane?
4-[4,6-bis(3,6-dihydro-2H-pyran-4-yl)-1,3,5-triazin-2-yl]aniline;ethane has a molecular weight of 366.47 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,6-bis(3,6-dihydro-2H-pyran-4-yl)-1,3,5-triazin-2-yl]aniline;ethane is sourced from PubChem (CID 143899778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).