2-N-hexyl-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine

C25H32N6O — CID 2172668

IUPAC2-N-hexyl-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCCNc1nc(N2CCOCC2)nc(N(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C25H32N6O/c1-2-3-4-11-16-26-23-27-24(30-17-19-32-20-18-30)29-25(28-23)31(21-12-7-5-8-13-21)22-14-9-6-10-15-22/h5-10,12-15H,2-4,11,16-20H2,1H3,(H,26,27,28,29)
InChIKeyJRERRAKMJYXIBH-UHFFFAOYSA-N
MW432.57 g/mol
LogP5.17
Rot. Bonds10

About 2-N-hexyl-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine

2-N-hexyl-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine (PubChem CID 2172668) has the molecular formula C25H32N6O and a molecular weight of 432.57 g/mol. Its IUPAC name is 2-N-hexyl-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-hexyl-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
PubChem CID2172668
Molecular FormulaC25H32N6O
Molecular Weight432.57 g/mol
Exact Mass432.26
IUPAC Name2-N-hexyl-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCCNc1nc(N2CCOCC2)nc(N(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C25H32N6O/c1-2-3-4-11-16-26-23-27-24(30-17-19-32-20-18-30)29-25(28-23)31(21-12-7-5-8-13-21)22-14-9-6-10-15-22/h5-10,12-15H,2-4,11,16-20H2,1H3,(H,26,27,28,29)
InChIKeyJRERRAKMJYXIBH-UHFFFAOYSA-N
XLogP5.17
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.57
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-N-hexyl-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-N-ethyl-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
CID 645138
N-butyl-4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80931737
4-(azepan-1-yl)-6-morpholin-4-yl-N,N-diphenyl-1,3,5-triazin-2-amine
CID 3927094
4-N-methyl-6-morpholin-4-yl-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80772544
trimethyl-[4-morpholin-4-yl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]azanium chloride
CID 11270270
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-N,4-N-dimethyl-6-(1,4-oxazepan-4-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80822984
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-4-N-pentyl-1,3,5-triazine-2,4-diamine
CID 80773312
3-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80772383
N-butyl-4-hydrazinyl-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80916546
22-chloro-4-N,13-N-didodecyl-1,3,5,7,10,12,14,16,19,21,23,25,30,33,36-pentadecazaheptacyclo[23.2.2.27,10.216,19.12,6.111,15.120,24]hexatriaconta-2,4,6(36),11(33),12,14,20,22,24(30)-nonaene-4,13-diamine
CID 101021286

Frequently Asked Questions

What is the IUPAC name of 2-N-hexyl-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-hexyl-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine (CID 2172668) is 2-N-hexyl-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-hexyl-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-hexyl-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine is CCCCCCNc1nc(N2CCOCC2)nc(N(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of 2-N-hexyl-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is JRERRAKMJYXIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O/c1-2-3-4-11-16-26-23-27-24(30-17-19-32-20-18-30)29-25(28-23)31(21-12-7-5-8-13-21)22-14-9-6-10-15-22/h5-10,12-15H,2-4,11,16-20H2,1H3,(H,26,27,28,29).
What are the key properties of 2-N-hexyl-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine?
2-N-hexyl-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 432.57 g/mol, XLogP of 5.17, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-hexyl-6-morpholin-4-yl-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 2172668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).