4-[[4-(4-methoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]benzamide

C21H23N7O3 — CID 42065579

IUPAC4-[[4-(4-methoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]benzamide
SMILESCOc1ccc(Nc2nc(Nc3ccc(C(N)=O)cc3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C21H23N7O3/c1-30-17-8-6-16(7-9-17)24-20-25-19(23-15-4-2-14(3-5-15)18(22)29)26-21(27-20)28-10-12-31-13-11-28/h2-9H,10-13H2,1H3,(H2,22,29)(H2,23,24,25,26,27)
InChIKeyZPZCZJFBFLTWPM-UHFFFAOYSA-N
MW421.46 g/mol
LogP2.30
Rot. Bonds7

About 4-[[4-(4-methoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]benzamide

4-[[4-(4-methoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]benzamide (PubChem CID 42065579) has the molecular formula C21H23N7O3 and a molecular weight of 421.46 g/mol. Its IUPAC name is 4-[[4-(4-methoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]benzamide.

Molecular Properties

Compound Name4-[[4-(4-methoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]benzamide
PubChem CID42065579
Molecular FormulaC21H23N7O3
Molecular Weight421.46 g/mol
Exact Mass421.19
IUPAC Name4-[[4-(4-methoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]benzamide
SMILESCOc1ccc(Nc2nc(Nc3ccc(C(N)=O)cc3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C21H23N7O3/c1-30-17-8-6-16(7-9-17)24-20-25-19(23-15-4-2-14(3-5-15)18(22)29)26-21(27-20)28-10-12-31-13-11-28/h2-9H,10-13H2,1H3,(H2,22,29)(H2,23,24,25,26,27)
InChIKeyZPZCZJFBFLTWPM-UHFFFAOYSA-N
XLogP2.30
TPSA127.52 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

N-(4-methoxyphenyl)-6-(morpholin-4-yl)-N'-phenyl-1,3,5-triazine-2,4-diamine
CID 16721099
N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]-4-[[4-[2-[2-(2-benzamidoethoxy)ethoxy]ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]benzamide
CID 23581854
1-(4-(Morpholine-4-carbonyl)phenyl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 24945676
[5-Amino-3-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-triazol-1-yl]-(4-morpholin-4-ylphenyl)methanone
CID 66929146
N-(4-methoxyphenyl)-N'-[4-(4-morpholinylcarbonyl)phenyl]urea
CID 1288686
4-[[4-[2-[2-(2-benzamidoethoxy)ethoxy]ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide
CID 51036344
4-[[4-[2-[2-(2-benzamidoethoxy)ethoxy]ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-N-hexylbenzamide
CID 51038016
N-methyl-3-[[4-(3-phenoxyazetidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide
CID 53371944
3-[[4-[3-(4-fluorophenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2-methoxyethyl)benzamide
CID 53371949
N-methyl-3-[[4-(4-phenoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide
CID 53372082
4-[[4-[2-(2-benzamidoethoxy)ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]amino]-N-benzylbenzamide
CID 68266135
4-[[4-[2-[2-(2-benzamidoethoxy)ethoxy]ethylamino]-6-(4-hydroxyanilino)-1,3,5-triazin-2-yl]-methylamino]-N-benzylbenzamide
CID 68394743

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-methoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]benzamide?
The IUPAC name of 4-[[4-(4-methoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]benzamide (CID 42065579) is 4-[[4-(4-methoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]benzamide.
What is the SMILES notation for 4-[[4-(4-methoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]benzamide?
The canonical SMILES for 4-[[4-(4-methoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]benzamide is COc1ccc(Nc2nc(Nc3ccc(C(N)=O)cc3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-[[4-(4-methoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]benzamide?
The InChIKey is ZPZCZJFBFLTWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O3/c1-30-17-8-6-16(7-9-17)24-20-25-19(23-15-4-2-14(3-5-15)18(22)29)26-21(27-20)28-10-12-31-13-11-28/h2-9H,10-13H2,1H3,(H2,22,29)(H2,23,24,25,26,27).
What are the key properties of 4-[[4-(4-methoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]benzamide?
4-[[4-(4-methoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]benzamide has a molecular weight of 421.46 g/mol, XLogP of 2.30, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-methoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]benzamide is sourced from PubChem (CID 42065579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).