2-[2-chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]propan-2-ol

C21H22ClFN4O2 — CID 71580293

About 2-[2-chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]propan-2-ol

2-[2-chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]propan-2-ol (PubChem CID 71580293) has the molecular formula C21H22ClFN4O2 and a molecular weight of 416.88 g/mol. Its IUPAC name is 2-[2-chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[2-chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]propan-2-ol
• PubChem CID: 71580293
• Molecular Formula: C21H22ClFN4O2
• Molecular Weight: 416.88 g/mol
• Exact Mass: 416.14
• IUPAC Name: 2-[2-chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]propan-2-ol
• SMILES: COc1nc(NCCc2ccc(F)cc2)nc(-c2ccc(Cl)c(C(C)(C)O)c2)n1
• InChI: InChI=1S/C21H22ClFN4O2/c1-21(2,28)16-12-14(6-9-17(16)22)18-25-19(27-20(26-18)29-3)24-11-10-13-4-7-15(23)8-5-13/h4-9,12,28H,10-11H2,1-3H3,(H,24,25,26,27)
• InChIKey: UFCHSFMYFXETIG-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 80.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.88
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]propan-2-ol?

The IUPAC name of 2-[2-chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]propan-2-ol (CID 71580293) is 2-[2-chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]propan-2-ol.

What is the SMILES notation for 2-[2-chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]propan-2-ol?

The canonical SMILES for 2-[2-chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]propan-2-ol is COc1nc(NCCc2ccc(F)cc2)nc(-c2ccc(Cl)c(C(C)(C)O)c2)n1.

What is the InChIKey of 2-[2-chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]propan-2-ol?

The InChIKey is UFCHSFMYFXETIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN4O2/c1-21(2,28)16-12-14(6-9-17(16)22)18-25-19(27-20(26-18)29-3)24-11-10-13-4-7-15(23)8-5-13/h4-9,12,28H,10-11H2,1-3H3,(H,24,25,26,27).

What are the key properties of 2-[2-chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]propan-2-ol?

2-[2-chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]propan-2-ol has a molecular weight of 416.88 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-chloro-5-[4-[2-(4-fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]propan-2-ol is sourced from PubChem (CID 71580293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).