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

C24H26N8O3 — CID 118725432

IUPAC2-[[4-(2-methoxy-4-morpholin-4-ylanilino)imidazo[1,2-a][1,3,5]triazin-2-yl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)n2ccnc2n1
InChIInChI=1S/C24H26N8O3/c1-25-21(33)17-5-3-4-6-18(17)27-22-29-23-26-9-10-32(23)24(30-22)28-19-8-7-16(15-20(19)34-2)31-11-13-35-14-12-31/h3-10,15H,11-14H2,1-2H3,(H,25,33)(H2,26,27,28,29,30)
InChIKeyYMFLRYOELCBVBK-UHFFFAOYSA-N
MW474.53 g/mol
LogP2.82
Rot. Bonds7

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

2-[[4-(2-methoxy-4-morpholin-4-ylanilino)imidazo[1,2-a][1,3,5]triazin-2-yl]amino]-N-methylbenzamide (PubChem CID 118725432) has the molecular formula C24H26N8O3 and a molecular weight of 474.53 g/mol. Its IUPAC name is 2-[[4-(2-methoxy-4-morpholin-4-ylanilino)imidazo[1,2-a][1,3,5]triazin-2-yl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name2-[[4-(2-methoxy-4-morpholin-4-ylanilino)imidazo[1,2-a][1,3,5]triazin-2-yl]amino]-N-methylbenzamide
PubChem CID118725432
Molecular FormulaC24H26N8O3
Molecular Weight474.53 g/mol
Exact Mass474.21
IUPAC Name2-[[4-(2-methoxy-4-morpholin-4-ylanilino)imidazo[1,2-a][1,3,5]triazin-2-yl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)n2ccnc2n1
InChIInChI=1S/C24H26N8O3/c1-25-21(33)17-5-3-4-6-18(17)27-22-29-23-26-9-10-32(23)24(30-22)28-19-8-7-16(15-20(19)34-2)31-11-13-35-14-12-31/h3-10,15H,11-14H2,1-2H3,(H,25,33)(H2,26,27,28,29,30)
InChIKeyYMFLRYOELCBVBK-UHFFFAOYSA-N
XLogP2.82
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.53
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

2-[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]amino]-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 25072546
2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;2,2,2-trifluoroacetic acid
CID 117076920
2-[[5-methoxy-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]-N-methylbenzamide
CID 155527161
2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2,2,2-trifluoroacetic acid
CID 131865374
2-[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]-5-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-methylbenzamide
CID 68911637
N-(2-methoxy-4-morpholin-4-ylphenyl)-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 58865823
2-N-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-4-N-(2-methylsulfonylphenyl)-1,3,5-triazine-2,4-diamine
CID 59284577
4-N-(2-dimethylphosphorylphenyl)-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 155524460
5-fluoro-2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;1-[2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]ethanone
CID 157103226
2-[[5-chloro-2-[2-methoxy-4-[4-(10-oxododecyl)piperazin-1-yl]anilino]pyrimidin-4-yl]amino]-N-methylbenzamide
CID 163507901
2-[[5-chloro-2-[2-methoxy-4-[4-(8-oxodecyl)piperazin-1-yl]anilino]pyrimidin-4-yl]amino]-N-methylbenzamide
CID 163507898
N-[2-[[5-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-(2-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 90330964

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methoxy-4-morpholin-4-ylanilino)imidazo[1,2-a][1,3,5]triazin-2-yl]amino]-N-methylbenzamide?
The IUPAC name of 2-[[4-(2-methoxy-4-morpholin-4-ylanilino)imidazo[1,2-a][1,3,5]triazin-2-yl]amino]-N-methylbenzamide (CID 118725432) is 2-[[4-(2-methoxy-4-morpholin-4-ylanilino)imidazo[1,2-a][1,3,5]triazin-2-yl]amino]-N-methylbenzamide.
What is the SMILES notation for 2-[[4-(2-methoxy-4-morpholin-4-ylanilino)imidazo[1,2-a][1,3,5]triazin-2-yl]amino]-N-methylbenzamide?
The canonical SMILES for 2-[[4-(2-methoxy-4-morpholin-4-ylanilino)imidazo[1,2-a][1,3,5]triazin-2-yl]amino]-N-methylbenzamide is CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)n2ccnc2n1.
What is the InChIKey of 2-[[4-(2-methoxy-4-morpholin-4-ylanilino)imidazo[1,2-a][1,3,5]triazin-2-yl]amino]-N-methylbenzamide?
The InChIKey is YMFLRYOELCBVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O3/c1-25-21(33)17-5-3-4-6-18(17)27-22-29-23-26-9-10-32(23)24(30-22)28-19-8-7-16(15-20(19)34-2)31-11-13-35-14-12-31/h3-10,15H,11-14H2,1-2H3,(H,25,33)(H2,26,27,28,29,30).
What are the key properties of 2-[[4-(2-methoxy-4-morpholin-4-ylanilino)imidazo[1,2-a][1,3,5]triazin-2-yl]amino]-N-methylbenzamide?
2-[[4-(2-methoxy-4-morpholin-4-ylanilino)imidazo[1,2-a][1,3,5]triazin-2-yl]amino]-N-methylbenzamide has a molecular weight of 474.53 g/mol, XLogP of 2.82, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methoxy-4-morpholin-4-ylanilino)imidazo[1,2-a][1,3,5]triazin-2-yl]amino]-N-methylbenzamide is sourced from PubChem (CID 118725432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).