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

C25H20F4N2O2 — CID 139875640

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

2-[5-fluoro-6-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(methoxymethyl)pyrimidine (PubChem CID 139875640) has the molecular formula C25H20F4N2O2 and a molecular weight of 456.44 g/mol. Its IUPAC name is 2-[5-fluoro-6-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(methoxymethyl)pyrimidine.

Molecular Properties

• Compound Name: 2-[5-fluoro-6-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(methoxymethyl)pyrimidine
• PubChem CID: 139875640
• Molecular Formula: C25H20F4N2O2
• Molecular Weight: 456.44 g/mol
• Exact Mass: 456.15
• IUPAC Name: 2-[5-fluoro-6-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(methoxymethyl)pyrimidine
• SMILES: COCc1cnc(-c2ccc3c(F)c(CCc4ccc(OC(F)(F)F)cc4)ccc3c2)nc1
• InChI: InChI=1S/C25H20F4N2O2/c1-32-15-17-13-30-24(31-14-17)20-8-11-22-19(12-20)7-6-18(23(22)26)5-2-16-3-9-21(10-4-16)33-25(27,28)29/h3-4,6-14H,2,5,15H2,1H3
• InChIKey: IRKPBZSBWUNSQK-UHFFFAOYSA-N
• XLogP: 6.27
• TPSA: 44.24 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.44
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-[5-fluoro-6-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(methoxymethyl)pyrimidine (CID 139875640) is 2-[5-fluoro-6-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(methoxymethyl)pyrimidine.

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

The canonical SMILES for 2-[5-fluoro-6-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(methoxymethyl)pyrimidine is COCc1cnc(-c2ccc3c(F)c(CCc4ccc(OC(F)(F)F)cc4)ccc3c2)nc1.

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

The InChIKey is IRKPBZSBWUNSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F4N2O2/c1-32-15-17-13-30-24(31-14-17)20-8-11-22-19(12-20)7-6-18(23(22)26)5-2-16-3-9-21(10-4-16)33-25(27,28)29/h3-4,6-14H,2,5,15H2,1H3.

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

2-[5-fluoro-6-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(methoxymethyl)pyrimidine has a molecular weight of 456.44 g/mol, XLogP of 6.27, 7 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-[4-(trifluoromethoxy)phenyl]ethyl]naphthalen-2-yl]-5-(methoxymethyl)pyrimidine is sourced from PubChem (CID 139875640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).