N,N-bis[(4-methoxyphenyl)methyl]-4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(3-methylmorpholin-4-yl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine

C37H42N8O4 — CID 66600531

About N,N-bis[(4-methoxyphenyl)methyl]-4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(3-methylmorpholin-4-yl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine

N,N-bis[(4-methoxyphenyl)methyl]-4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(3-methylmorpholin-4-yl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine (PubChem CID 66600531) has the molecular formula C37H42N8O4 and a molecular weight of 662.80 g/mol. Its IUPAC name is N,N-bis[(4-methoxyphenyl)methyl]-4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(3-methylmorpholin-4-yl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

• Compound Name: N,N-bis[(4-methoxyphenyl)methyl]-4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(3-methylmorpholin-4-yl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
• PubChem CID: 66600531
• Molecular Formula: C37H42N8O4
• Molecular Weight: 662.80 g/mol
• Exact Mass: 662.33
• IUPAC Name: N,N-bis[(4-methoxyphenyl)methyl]-4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(3-methylmorpholin-4-yl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
• SMILES: COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(CN4CCOCC4C)cnc3Nc3ccc(OC)nc3)n2)cc1
• InChI: InChI=1S/C37H42N8O4/c1-25-24-49-17-16-44(25)23-29-18-33(35(39-19-29)42-30-10-15-34(48-5)38-20-30)36-40-26(2)41-37(43-36)45(21-27-6-11-31(46-3)12-7-27)22-28-8-13-32(47-4)14-9-28/h6-15,18-20,25H,16-17,21-24H2,1-5H3,(H,39,42)
• InChIKey: SGVGQVLUCLHTFP-UHFFFAOYSA-N
• XLogP: 5.83
• TPSA: 119.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	662.80
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(4-methoxyphenyl)methyl]-4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(3-methylmorpholin-4-yl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?

The IUPAC name of N,N-bis[(4-methoxyphenyl)methyl]-4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(3-methylmorpholin-4-yl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine (CID 66600531) is N,N-bis[(4-methoxyphenyl)methyl]-4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(3-methylmorpholin-4-yl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine.

What is the SMILES notation for N,N-bis[(4-methoxyphenyl)methyl]-4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(3-methylmorpholin-4-yl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?

The canonical SMILES for N,N-bis[(4-methoxyphenyl)methyl]-4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(3-methylmorpholin-4-yl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine is COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(CN4CCOCC4C)cnc3Nc3ccc(OC)nc3)n2)cc1.

What is the InChIKey of N,N-bis[(4-methoxyphenyl)methyl]-4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(3-methylmorpholin-4-yl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?

The InChIKey is SGVGQVLUCLHTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H42N8O4/c1-25-24-49-17-16-44(25)23-29-18-33(35(39-19-29)42-30-10-15-34(48-5)38-20-30)36-40-26(2)41-37(43-36)45(21-27-6-11-31(46-3)12-7-27)22-28-8-13-32(47-4)14-9-28/h6-15,18-20,25H,16-17,21-24H2,1-5H3,(H,39,42).

What are the key properties of N,N-bis[(4-methoxyphenyl)methyl]-4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(3-methylmorpholin-4-yl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?

N,N-bis[(4-methoxyphenyl)methyl]-4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(3-methylmorpholin-4-yl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 662.80 g/mol, XLogP of 5.83, 13 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis[(4-methoxyphenyl)methyl]-4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[(3-methylmorpholin-4-yl)methyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 66600531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).