1-[3-[[4-(4-ethoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone

C23H26N6O3 — CID 18580169

IUPAC1-[3-[[4-(4-ethoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone
SMILESCCOc1ccc(Nc2nc(Nc3cccc(C(C)=O)c3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C23H26N6O3/c1-3-32-20-9-7-18(8-10-20)24-21-26-22(25-19-6-4-5-17(15-19)16(2)30)28-23(27-21)29-11-13-31-14-12-29/h4-10,15H,3,11-14H2,1-2H3,(H2,24,25,26,27,28)
InChIKeyOHDSWRCXBUQOMX-UHFFFAOYSA-N
MW434.50 g/mol
LogP3.80
Rot. Bonds8

About 1-[3-[[4-(4-ethoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone

1-[3-[[4-(4-ethoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone (PubChem CID 18580169) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is 1-[3-[[4-(4-ethoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[4-(4-ethoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone
PubChem CID18580169
Molecular FormulaC23H26N6O3
Molecular Weight434.50 g/mol
Exact Mass434.21
IUPAC Name1-[3-[[4-(4-ethoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone
SMILESCCOc1ccc(Nc2nc(Nc3cccc(C(C)=O)c3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C23H26N6O3/c1-3-32-20-9-7-18(8-10-20)24-21-26-22(25-19-6-4-5-17(15-19)16(2)30)28-23(27-21)29-11-13-31-14-12-29/h4-10,15H,3,11-14H2,1-2H3,(H2,24,25,26,27,28)
InChIKeyOHDSWRCXBUQOMX-UHFFFAOYSA-N
XLogP3.80
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[3-[[4-(4-ethoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone with MolForge

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Related Compounds

2-N-(4-ethoxyphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580366
1-[4-[[4-(4-methoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone
CID 42065578
1-[3-[[4-(4-fluoroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone
CID 35024747
4-N-(4-ethylphenyl)-2-N-(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 18580284
4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoic acid
CID 4767474
1-[3-[[3-(4-ethoxyanilino)-1,2,4-triazin-5-yl]amino]phenyl]ethanone
CID 112967626
2-N,4-N-bis(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;dihydrochloride
CID 45136690
ethyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoate;hydrochloride
CID 18580234
2-N-(4-ethoxyphenyl)-4-N-phenyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine
CID 24877079
[5-bromo-4-[(Z)-[[4-(3-chloroanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-2-ethoxyphenyl] acetate
CID 6117586
2-N-(2-ethylphenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 42477739
2-N-(3,4-dimethoxyphenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 18580158

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-(4-ethoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[3-[[4-(4-ethoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone (CID 18580169) is 1-[3-[[4-(4-ethoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[[4-(4-ethoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[3-[[4-(4-ethoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone is CCOc1ccc(Nc2nc(Nc3cccc(C(C)=O)c3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 1-[3-[[4-(4-ethoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone?
The InChIKey is OHDSWRCXBUQOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3/c1-3-32-20-9-7-18(8-10-20)24-21-26-22(25-19-6-4-5-17(15-19)16(2)30)28-23(27-21)29-11-13-31-14-12-29/h4-10,15H,3,11-14H2,1-2H3,(H2,24,25,26,27,28).
What are the key properties of 1-[3-[[4-(4-ethoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone?
1-[3-[[4-(4-ethoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone has a molecular weight of 434.50 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-(4-ethoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone is sourced from PubChem (CID 18580169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).