[5-[4-[(4-methoxyphenyl)methylamino]-6-methyl-1,3,5-triazin-2-yl]-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-morpholin-4-ylmethanone

C28H30N8O4 — CID 71231945

IUPAC[5-[4-[(4-methoxyphenyl)methylamino]-6-methyl-1,3,5-triazin-2-yl]-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCOc1ccc(CNc2nc(C)nc(-c3cc(C(=O)N4CCOCC4)cnc3Nc3ccc(OC)nc3)n2)cc1
InChIInChI=1S/C28H30N8O4/c1-18-32-26(35-28(33-18)31-15-19-4-7-22(38-2)8-5-19)23-14-20(27(37)36-10-12-40-13-11-36)16-30-25(23)34-21-6-9-24(39-3)29-17-21/h4-9,14,16-17H,10-13,15H2,1-3H3,(H,30,34)(H,31,32,33,35)
InChIKeyLIUYXDKSCJDBDK-UHFFFAOYSA-N
MW542.60 g/mol
LogP3.48
Rot. Bonds9

About [5-[4-[(4-methoxyphenyl)methylamino]-6-methyl-1,3,5-triazin-2-yl]-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-morpholin-4-ylmethanone

[5-[4-[(4-methoxyphenyl)methylamino]-6-methyl-1,3,5-triazin-2-yl]-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 71231945) has the molecular formula C28H30N8O4 and a molecular weight of 542.60 g/mol. Its IUPAC name is [5-[4-[(4-methoxyphenyl)methylamino]-6-methyl-1,3,5-triazin-2-yl]-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[4-[(4-methoxyphenyl)methylamino]-6-methyl-1,3,5-triazin-2-yl]-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID71231945
Molecular FormulaC28H30N8O4
Molecular Weight542.60 g/mol
Exact Mass542.24
IUPAC Name[5-[4-[(4-methoxyphenyl)methylamino]-6-methyl-1,3,5-triazin-2-yl]-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCOc1ccc(CNc2nc(C)nc(-c3cc(C(=O)N4CCOCC4)cnc3Nc3ccc(OC)nc3)n2)cc1
InChIInChI=1S/C28H30N8O4/c1-18-32-26(35-28(33-18)31-15-19-4-7-22(38-2)8-5-19)23-14-20(27(37)36-10-12-40-13-11-36)16-30-25(23)34-21-6-9-24(39-3)29-17-21/h4-9,14,16-17H,10-13,15H2,1-3H3,(H,30,34)(H,31,32,33,35)
InChIKeyLIUYXDKSCJDBDK-UHFFFAOYSA-N
XLogP3.48
TPSA136.51 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.60
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze [5-[4-[(4-methoxyphenyl)methylamino]-6-methyl-1,3,5-triazin-2-yl]-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-morpholin-4-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-[4-[(4-methoxyphenyl)methylamino]-6-methyl-1,3,5-triazin-2-yl]-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [5-[4-[(4-methoxyphenyl)methylamino]-6-methyl-1,3,5-triazin-2-yl]-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-morpholin-4-ylmethanone (CID 71231945) is [5-[4-[(4-methoxyphenyl)methylamino]-6-methyl-1,3,5-triazin-2-yl]-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-[4-[(4-methoxyphenyl)methylamino]-6-methyl-1,3,5-triazin-2-yl]-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-[4-[(4-methoxyphenyl)methylamino]-6-methyl-1,3,5-triazin-2-yl]-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-morpholin-4-ylmethanone is COc1ccc(CNc2nc(C)nc(-c3cc(C(=O)N4CCOCC4)cnc3Nc3ccc(OC)nc3)n2)cc1.
What is the InChIKey of [5-[4-[(4-methoxyphenyl)methylamino]-6-methyl-1,3,5-triazin-2-yl]-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is LIUYXDKSCJDBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N8O4/c1-18-32-26(35-28(33-18)31-15-19-4-7-22(38-2)8-5-19)23-14-20(27(37)36-10-12-40-13-11-36)16-30-25(23)34-21-6-9-24(39-3)29-17-21/h4-9,14,16-17H,10-13,15H2,1-3H3,(H,30,34)(H,31,32,33,35).
What are the key properties of [5-[4-[(4-methoxyphenyl)methylamino]-6-methyl-1,3,5-triazin-2-yl]-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-morpholin-4-ylmethanone?
[5-[4-[(4-methoxyphenyl)methylamino]-6-methyl-1,3,5-triazin-2-yl]-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 542.60 g/mol, XLogP of 3.48, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-[(4-methoxyphenyl)methylamino]-6-methyl-1,3,5-triazin-2-yl]-6-[(6-methoxy-3-pyridinyl)amino]-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 71231945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).