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

C22H27ClN6O — CID 11270270

IUPACtrimethyl-[4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]azanium chloride
SMILESC[N+](C)(C)c1nc(N2CCOCC2)nc(N(c2ccccc2)c2ccccc2)n1.[Cl-]
InChIInChI=1S/C22H27N6O.ClH/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;1H/q+1;/p-1
InChIKeyTVKCXWUDWYJKEF-UHFFFAOYSA-M
MW426.95 g/mol
LogP0.38
Rot. Bonds5

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

trimethyl-[4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]azanium chloride (PubChem CID 11270270) has the molecular formula C22H27ClN6O and a molecular weight of 426.95 g/mol. Its IUPAC name is trimethyl-[4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]azanium chloride.

Molecular Properties

Compound Nametrimethyl-[4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]azanium chloride
PubChem CID11270270
Molecular FormulaC22H27ClN6O
Molecular Weight426.95 g/mol
Exact Mass426.19
IUPAC Nametrimethyl-[4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]azanium chloride
SMILESC[N+](C)(C)c1nc(N2CCOCC2)nc(N(c2ccccc2)c2ccccc2)n1.[Cl-]
InChIInChI=1S/C22H27N6O.ClH/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;1H/q+1;/p-1
InChIKeyTVKCXWUDWYJKEF-UHFFFAOYSA-M
XLogP0.38
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 50.38
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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Launch Full Analysis

Related Compounds

4-(azepan-1-yl)-6-morpholin-4-yl-N,N-diphenyl-1,3,5-triazin-2-amine
CID 3927094
2-N-ethyl-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
CID 645138
4-morpholin-4-yl-6-(4-phenoxypiperidin-1-yl)-N,N-diphenyl-1,3,5-triazin-2-amine
CID 121350336
2-N,4-N-dimethyl-6-morpholin-4-yl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine;dihydrochloride
CID 16955716
2-N-hexyl-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
CID 2172668
(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)-trimethylazanium chloride
CID 11335249
2-N-[[4-(dimethylamino)phenyl]methylideneamino]-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
CID 4289951
4-imidazol-1-yl-N,N-diphenyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 1266457
4-diphenylphosphanyl-N,N-diethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 44515823
2-[[3-[[4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]amino]phenyl]iminomethyl]phenol
CID 135543566
3-(4-methylphenyl)-1-(4-morpholin-4-yl-1,3,5-triazin-2-yl)-1-phenylurea
CID 67443051
6-[16-[4-(diethylamino)-6-(dipyridin-2-ylamino)-1,3,5-triazin-2-yl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-4-N,4-N-diethyl-2-N,2-N-dipyridin-2-yl-1,3,5-triazine-2,4-diamine;iron(2+);diisothiocyanate
CID 139160837

Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]azanium chloride?
The IUPAC name of trimethyl-[4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]azanium chloride (CID 11270270) is trimethyl-[4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]azanium chloride.
What is the SMILES notation for trimethyl-[4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]azanium chloride?
The canonical SMILES for trimethyl-[4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]azanium chloride is C[N+](C)(C)c1nc(N2CCOCC2)nc(N(c2ccccc2)c2ccccc2)n1.[Cl-].
What is the InChIKey of trimethyl-[4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]azanium chloride?
The InChIKey is TVKCXWUDWYJKEF-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H27N6O.ClH/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;1H/q+1;/p-1.
What are the key properties of trimethyl-[4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]azanium chloride?
trimethyl-[4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]azanium chloride has a molecular weight of 426.95 g/mol, XLogP of 0.38, 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 chloride is sourced from PubChem (CID 11270270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).