2-[5-fluoro-6-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(methoxymethyl)pyrimidine

C26H21F5N2O2 — CID 139874222

About 2-[5-fluoro-6-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(methoxymethyl)pyrimidine

2-[5-fluoro-6-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(methoxymethyl)pyrimidine (PubChem CID 139874222) has the molecular formula C26H21F5N2O2 and a molecular weight of 488.46 g/mol. Its IUPAC name is 2-[5-fluoro-6-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(methoxymethyl)pyrimidine.

Molecular Properties

• Compound Name: 2-[5-fluoro-6-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(methoxymethyl)pyrimidine
• PubChem CID: 139874222
• Molecular Formula: C26H21F5N2O2
• Molecular Weight: 488.46 g/mol
• Exact Mass: 488.15
• IUPAC Name: 2-[5-fluoro-6-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(methoxymethyl)pyrimidine
• SMILES: COCc1cnc(-c2ccc3c(F)c(CCc4ccc(OCC(F)(F)F)c(F)c4)ccc3c2)nc1
• InChI: InChI=1S/C26H21F5N2O2/c1-34-14-17-12-32-25(33-13-17)20-7-8-21-19(11-20)6-5-18(24(21)28)4-2-16-3-9-23(22(27)10-16)35-15-26(29,30)31/h3,5-13H,2,4,14-15H2,1H3
• InChIKey: NPQONFUVHIEETL-UHFFFAOYSA-N
• XLogP: 6.45
• TPSA: 44.24 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.46
LogP ≤ 5	6.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-6-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(methoxymethyl)pyrimidine?

The IUPAC name of 2-[5-fluoro-6-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(methoxymethyl)pyrimidine (CID 139874222) is 2-[5-fluoro-6-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(methoxymethyl)pyrimidine.

What is the SMILES notation for 2-[5-fluoro-6-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(methoxymethyl)pyrimidine?

The canonical SMILES for 2-[5-fluoro-6-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(methoxymethyl)pyrimidine is COCc1cnc(-c2ccc3c(F)c(CCc4ccc(OCC(F)(F)F)c(F)c4)ccc3c2)nc1.

What is the InChIKey of 2-[5-fluoro-6-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(methoxymethyl)pyrimidine?

The InChIKey is NPQONFUVHIEETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F5N2O2/c1-34-14-17-12-32-25(33-13-17)20-7-8-21-19(11-20)6-5-18(24(21)28)4-2-16-3-9-23(22(27)10-16)35-15-26(29,30)31/h3,5-13H,2,4,14-15H2,1H3.

What are the key properties of 2-[5-fluoro-6-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(methoxymethyl)pyrimidine?

2-[5-fluoro-6-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(methoxymethyl)pyrimidine has a molecular weight of 488.46 g/mol, XLogP of 6.45, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-fluoro-6-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(methoxymethyl)pyrimidine is sourced from PubChem (CID 139874222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).