trimethyl-[4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]azanium

C22H27N6O+ — CID 3513539

IUPACtrimethyl-[4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]azanium
SMILESC[N+](C)(C)c1nc(N2CCOCC2)nc(N(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C22H27N6O/c1-28(2,3)22-24-20(26-14-16-29-17-15-26)23-21(25-22)27(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13H,14-17H2,1-3H3/q+1
InChIKeyUPCHZPMUOIOAFQ-UHFFFAOYSA-N
MW391.50 g/mol
LogP3.37
Rot. Bonds5

About trimethyl-[4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]azanium

trimethyl-[4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]azanium (PubChem CID 3513539) has the molecular formula C22H27N6O+ and a molecular weight of 391.50 g/mol. Its IUPAC name is trimethyl-[4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]azanium.

Molecular Properties

Compound Nametrimethyl-[4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]azanium
PubChem CID3513539
Molecular FormulaC22H27N6O+
Molecular Weight391.50 g/mol
Exact Mass391.22
IUPAC Nametrimethyl-[4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]azanium
SMILESC[N+](C)(C)c1nc(N2CCOCC2)nc(N(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C22H27N6O/c1-28(2,3)22-24-20(26-14-16-29-17-15-26)23-21(25-22)27(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13H,14-17H2,1-3H3/q+1
InChIKeyUPCHZPMUOIOAFQ-UHFFFAOYSA-N
XLogP3.37
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]azanium?
The IUPAC name of trimethyl-[4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]azanium (CID 3513539) is trimethyl-[4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]azanium.
What is the SMILES notation for trimethyl-[4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]azanium?
The canonical SMILES for trimethyl-[4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]azanium is C[N+](C)(C)c1nc(N2CCOCC2)nc(N(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of trimethyl-[4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]azanium?
The InChIKey is UPCHZPMUOIOAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N6O/c1-28(2,3)22-24-20(26-14-16-29-17-15-26)23-21(25-22)27(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13H,14-17H2,1-3H3/q+1.
What are the key properties of trimethyl-[4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]azanium?
trimethyl-[4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]azanium has a molecular weight of 391.50 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]azanium is sourced from PubChem (CID 3513539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).