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

C22H24N6O3 — CID 18580205

IUPAC1-[3-[[4-(4-methoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone
SMILESCOc1ccc(Nc2nc(Nc3cccc(C(C)=O)c3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C22H24N6O3/c1-15(29)16-4-3-5-18(14-16)24-21-25-20(23-17-6-8-19(30-2)9-7-17)26-22(27-21)28-10-12-31-13-11-28/h3-9,14H,10-13H2,1-2H3,(H2,23,24,25,26,27)
InChIKeyOXKAUTNPVDSHRJ-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.41
Rot. Bonds7

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

1-[3-[[4-(4-methoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone (PubChem CID 18580205) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is 1-[3-[[4-(4-methoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[4-(4-methoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone
PubChem CID18580205
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC Name1-[3-[[4-(4-methoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone
SMILESCOc1ccc(Nc2nc(Nc3cccc(C(C)=O)c3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C22H24N6O3/c1-15(29)16-4-3-5-18(14-16)24-21-25-20(23-17-6-8-19(30-2)9-7-17)26-22(27-21)28-10-12-31-13-11-28/h3-9,14H,10-13H2,1-2H3,(H2,23,24,25,26,27)
InChIKeyOXKAUTNPVDSHRJ-UHFFFAOYSA-N
XLogP3.41
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-(4-methoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[3-[[4-(4-methoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone (CID 18580205) is 1-[3-[[4-(4-methoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[[4-(4-methoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[3-[[4-(4-methoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone is COc1ccc(Nc2nc(Nc3cccc(C(C)=O)c3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 1-[3-[[4-(4-methoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone?
The InChIKey is OXKAUTNPVDSHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3/c1-15(29)16-4-3-5-18(14-16)24-21-25-20(23-17-6-8-19(30-2)9-7-17)26-22(27-21)28-10-12-31-13-11-28/h3-9,14H,10-13H2,1-2H3,(H2,23,24,25,26,27).
What are the key properties of 1-[3-[[4-(4-methoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone?
1-[3-[[4-(4-methoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone has a molecular weight of 420.47 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-(4-methoxyanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]phenyl]ethanone is sourced from PubChem (CID 18580205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).