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

C36H39FN8O4 — CID 66611662

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

4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-(morpholin-4-ylmethyl)-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine (PubChem CID 66611662) has the molecular formula C36H39FN8O4 and a molecular weight of 666.76 g/mol. Its IUPAC name is 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-(morpholin-4-ylmethyl)-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

• Compound Name: 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-(morpholin-4-ylmethyl)-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine
• PubChem CID: 66611662
• Molecular Formula: C36H39FN8O4
• Molecular Weight: 666.76 g/mol
• Exact Mass: 666.31
• IUPAC Name: 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-(morpholin-4-ylmethyl)-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine
• SMILES: COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(CN4CCOCC4)cnc3Nc3cnc(OC)c(F)c3)n2)cc1
• InChI: InChI=1S/C36H39FN8O4/c1-24-40-34(43-36(41-24)45(22-25-5-9-29(46-2)10-6-25)23-26-7-11-30(47-3)12-8-26)31-17-27(21-44-13-15-49-16-14-44)19-38-33(31)42-28-18-32(37)35(48-4)39-20-28/h5-12,17-20H,13-16,21-23H2,1-4H3,(H,38,42)
• InChIKey: GETIQMSUAPBZNY-UHFFFAOYSA-N
• XLogP: 5.58
• 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	666.76
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-(morpholin-4-ylmethyl)-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine (CID 66611662) is 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-(morpholin-4-ylmethyl)-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine.

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

The canonical SMILES for 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-(morpholin-4-ylmethyl)-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine is COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3cc(CN4CCOCC4)cnc3Nc3cnc(OC)c(F)c3)n2)cc1.

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

The InChIKey is GETIQMSUAPBZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H39FN8O4/c1-24-40-34(43-36(41-24)45(22-25-5-9-29(46-2)10-6-25)23-26-7-11-30(47-3)12-8-26)31-17-27(21-44-13-15-49-16-14-44)19-38-33(31)42-28-18-32(37)35(48-4)39-20-28/h5-12,17-20H,13-16,21-23H2,1-4H3,(H,38,42).

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

4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-(morpholin-4-ylmethyl)-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 666.76 g/mol, XLogP of 5.58, 13 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-(morpholin-4-ylmethyl)-3-pyridinyl]-N,N-bis[(4-methoxyphenyl)methyl]-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 66611662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).