2-[[4-(2-methoxy-4-morpholin-4-ylanilino)-1,3,5-triazin-2-yl]amino]-N-methylbenzamide

C22H25N7O3 — CID 59284564

IUPAC2-[[4-(2-methoxy-4-morpholin-4-ylanilino)-1,3,5-triazin-2-yl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1Nc1ncnc(Nc2ccc(N3CCOCC3)cc2OC)n1
InChIInChI=1S/C22H25N7O3/c1-23-20(30)16-5-3-4-6-17(16)26-21-24-14-25-22(28-21)27-18-8-7-15(13-19(18)31-2)29-9-11-32-12-10-29/h3-8,13-14H,9-12H2,1-2H3,(H,23,30)(H2,24,25,26,27,28)
InChIKeyMMFUMGAALISETK-UHFFFAOYSA-N
MW435.49 g/mol
LogP2.56
Rot. Bonds7

About 2-[[4-(2-methoxy-4-morpholin-4-ylanilino)-1,3,5-triazin-2-yl]amino]-N-methylbenzamide

2-[[4-(2-methoxy-4-morpholin-4-ylanilino)-1,3,5-triazin-2-yl]amino]-N-methylbenzamide (PubChem CID 59284564) has the molecular formula C22H25N7O3 and a molecular weight of 435.49 g/mol. Its IUPAC name is 2-[[4-(2-methoxy-4-morpholin-4-ylanilino)-1,3,5-triazin-2-yl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name2-[[4-(2-methoxy-4-morpholin-4-ylanilino)-1,3,5-triazin-2-yl]amino]-N-methylbenzamide
PubChem CID59284564
Molecular FormulaC22H25N7O3
Molecular Weight435.49 g/mol
Exact Mass435.20
IUPAC Name2-[[4-(2-methoxy-4-morpholin-4-ylanilino)-1,3,5-triazin-2-yl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1Nc1ncnc(Nc2ccc(N3CCOCC3)cc2OC)n1
InChIInChI=1S/C22H25N7O3/c1-23-20(30)16-5-3-4-6-17(16)26-21-24-14-25-22(28-21)27-18-8-7-15(13-19(18)31-2)29-9-11-32-12-10-29/h3-8,13-14H,9-12H2,1-2H3,(H,23,30)(H2,24,25,26,27,28)
InChIKeyMMFUMGAALISETK-UHFFFAOYSA-N
XLogP2.56
TPSA113.53 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[[4-(2-methoxy-4-morpholin-4-ylanilino)-1,3,5-triazin-2-yl]amino]-N-methylbenzamide with MolForge

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Related Compounds

Vs-4718
CID 25073775
2-((5-chloro-2-((2-methoxy-4-morpholin-4-ylphenyl)amino)pyrimidin-4-yl)amino)-N-methylbenzamide
CID 9934347
2-[2-Methoxy-4-(4-methyl-1-piperazinyl)anilino]-5,11-dimethyl-6-pyrimido[4,5-b][1,4]benzodiazepinone
CID 46844147
6H-Pyrimido[4,5-b][1,4]benzodiazepin-6-one, 5,11-dihydro-2-[[2-methoxy-4-(4-methyl-1-piperazinyl)phenyl]amino]-11-methyl-
CID 53322923
5-ethyl-2-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-11-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one
CID 134457974
2-[[5-Chloro-2-(2-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]benzamide
CID 90667137
2-[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]amino]-N-methylbenzamide
CID 44200209
2-[2-ethoxy-4-(4-methylpiperazin-1-yl)anilino]-11-methyl-5H-pyrimido[4,5-b][1,4]benzodiazepin-6-one
CID 46843541
11-Ethyl-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-5-methylpyrimido[4,5-b][1,4]benzodiazepin-6-one
CID 46843542
2-[2-Methoxy-4-(4-methylpiperazin-1-yl)anilino]-4,5,11-trimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one
CID 46843543
2-[2-Methoxy-4-(4-methylpiperazin-1-yl)anilino]-5-methyl-11-propan-2-ylpyrimido[4,5-b][1,4]benzodiazepin-6-one
CID 46843622
2-(2-Methoxy-4-morpholin-4-ylanilino)-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one
CID 46844092

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methoxy-4-morpholin-4-ylanilino)-1,3,5-triazin-2-yl]amino]-N-methylbenzamide?
The IUPAC name of 2-[[4-(2-methoxy-4-morpholin-4-ylanilino)-1,3,5-triazin-2-yl]amino]-N-methylbenzamide (CID 59284564) is 2-[[4-(2-methoxy-4-morpholin-4-ylanilino)-1,3,5-triazin-2-yl]amino]-N-methylbenzamide.
What is the SMILES notation for 2-[[4-(2-methoxy-4-morpholin-4-ylanilino)-1,3,5-triazin-2-yl]amino]-N-methylbenzamide?
The canonical SMILES for 2-[[4-(2-methoxy-4-morpholin-4-ylanilino)-1,3,5-triazin-2-yl]amino]-N-methylbenzamide is CNC(=O)c1ccccc1Nc1ncnc(Nc2ccc(N3CCOCC3)cc2OC)n1.
What is the InChIKey of 2-[[4-(2-methoxy-4-morpholin-4-ylanilino)-1,3,5-triazin-2-yl]amino]-N-methylbenzamide?
The InChIKey is MMFUMGAALISETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O3/c1-23-20(30)16-5-3-4-6-17(16)26-21-24-14-25-22(28-21)27-18-8-7-15(13-19(18)31-2)29-9-11-32-12-10-29/h3-8,13-14H,9-12H2,1-2H3,(H,23,30)(H2,24,25,26,27,28).
What are the key properties of 2-[[4-(2-methoxy-4-morpholin-4-ylanilino)-1,3,5-triazin-2-yl]amino]-N-methylbenzamide?
2-[[4-(2-methoxy-4-morpholin-4-ylanilino)-1,3,5-triazin-2-yl]amino]-N-methylbenzamide has a molecular weight of 435.49 g/mol, XLogP of 2.56, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methoxy-4-morpholin-4-ylanilino)-1,3,5-triazin-2-yl]amino]-N-methylbenzamide is sourced from PubChem (CID 59284564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).