4,6-dimorpholin-4-yl-N-(4-nitrophenyl)-1,3,5-triazin-2-amine

C17H21N7O4 — CID 2834965

IUPAC4,6-dimorpholin-4-yl-N-(4-nitrophenyl)-1,3,5-triazin-2-amine
SMILESO=[N+]([O-])c1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C17H21N7O4/c25-24(26)14-3-1-13(2-4-14)18-15-19-16(22-5-9-27-10-6-22)21-17(20-15)23-7-11-28-12-8-23/h1-4H,5-12H2,(H,18,19,20,21)
InChIKeyMSSXBKQZZINCRI-UHFFFAOYSA-N
MW387.40 g/mol
LogP1.20
Rot. Bonds5

About 4,6-dimorpholin-4-yl-N-(4-nitrophenyl)-1,3,5-triazin-2-amine

4,6-dimorpholin-4-yl-N-(4-nitrophenyl)-1,3,5-triazin-2-amine (PubChem CID 2834965) has the molecular formula C17H21N7O4 and a molecular weight of 387.40 g/mol. Its IUPAC name is 4,6-dimorpholin-4-yl-N-(4-nitrophenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dimorpholin-4-yl-N-(4-nitrophenyl)-1,3,5-triazin-2-amine
PubChem CID2834965
Molecular FormulaC17H21N7O4
Molecular Weight387.40 g/mol
Exact Mass387.17
IUPAC Name4,6-dimorpholin-4-yl-N-(4-nitrophenyl)-1,3,5-triazin-2-amine
SMILESO=[N+]([O-])c1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C17H21N7O4/c25-24(26)14-3-1-13(2-4-14)18-15-19-16(22-5-9-27-10-6-22)21-17(20-15)23-7-11-28-12-8-23/h1-4H,5-12H2,(H,18,19,20,21)
InChIKeyMSSXBKQZZINCRI-UHFFFAOYSA-N
XLogP1.20
TPSA118.78 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Anilino-4,6-DI(4-morpholinyl)-1,3,5-triazine
CID 749680
1,3,5-Triazine-2,4-diamine, 6-(4-morpholinyl)-n2,n4-diphenyl-
CID 780750
(4,6-Di-morpholin-4-yl-[1,3,5]triazin-2-yl)-m-tolyl-amine
CID 1117926
1,3,5-Triazine-2,4,6-triamine, N,N,N',N'-tetraethyl-N''-(4-nitrophenyl)-
CID 2837385
N-(2-Morpholin-4-yl-ethyl)-N',N''-diphenyl-[1,3,5]triazine-2,4,6-triamine
CID 1095342
N,N'-bis(4-fluorophenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine
CID 1333301
N-Isopropyl-6-methoxy-N'-(4-nitro-phenyl)-[1,3,5]triazine-2,4-diamine
CID 3121129
6-methoxy-N-[2-(4-morpholinyl)ethyl]-N'-phenyl-1,3,5-triazine-2,4-diamine
CID 694565
4-morpholin-4-yl-N-phenyl-6-piperazin-1-yl-1,3,5-triazin-2-amine
CID 778083
N-(4-nitrophenyl)-N'-pentyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 2826833
N-allyl-6-ethoxy-N'-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine
CID 3586413
2-({4-Ethoxy-6-[(4-nitrophenyl)amino]-1,3,5-triazin-2-yl}amino)ethanol
CID 3600191

Frequently Asked Questions

What is the IUPAC name of 4,6-dimorpholin-4-yl-N-(4-nitrophenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dimorpholin-4-yl-N-(4-nitrophenyl)-1,3,5-triazin-2-amine (CID 2834965) is 4,6-dimorpholin-4-yl-N-(4-nitrophenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dimorpholin-4-yl-N-(4-nitrophenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dimorpholin-4-yl-N-(4-nitrophenyl)-1,3,5-triazin-2-amine is O=[N+]([O-])c1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4,6-dimorpholin-4-yl-N-(4-nitrophenyl)-1,3,5-triazin-2-amine?
The InChIKey is MSSXBKQZZINCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O4/c25-24(26)14-3-1-13(2-4-14)18-15-19-16(22-5-9-27-10-6-22)21-17(20-15)23-7-11-28-12-8-23/h1-4H,5-12H2,(H,18,19,20,21).
What are the key properties of 4,6-dimorpholin-4-yl-N-(4-nitrophenyl)-1,3,5-triazin-2-amine?
4,6-dimorpholin-4-yl-N-(4-nitrophenyl)-1,3,5-triazin-2-amine has a molecular weight of 387.40 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimorpholin-4-yl-N-(4-nitrophenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 2834965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).