3-fluoro-5-[2-[3-[(2-fluorophenyl)methoxy]-3-phenylpropyl]sulfanyl-6-methylpyrimidin-4-yl]-1,2-dihydropyridin-2-ol

C26H25F2N3O2S — CID 138651390

About 3-fluoro-5-[2-[3-[(2-fluorophenyl)methoxy]-3-phenylpropyl]sulfanyl-6-methylpyrimidin-4-yl]-1,2-dihydropyridin-2-ol

3-fluoro-5-[2-[3-[(2-fluorophenyl)methoxy]-3-phenylpropyl]sulfanyl-6-methylpyrimidin-4-yl]-1,2-dihydropyridin-2-ol (PubChem CID 138651390) has the molecular formula C26H25F2N3O2S and a molecular weight of 481.57 g/mol. Its IUPAC name is 3-fluoro-5-[2-[3-[(2-fluorophenyl)methoxy]-3-phenylpropyl]sulfanyl-6-methylpyrimidin-4-yl]-1,2-dihydropyridin-2-ol.

Molecular Properties

• Compound Name: 3-fluoro-5-[2-[3-[(2-fluorophenyl)methoxy]-3-phenylpropyl]sulfanyl-6-methylpyrimidin-4-yl]-1,2-dihydropyridin-2-ol
• PubChem CID: 138651390
• Molecular Formula: C26H25F2N3O2S
• Molecular Weight: 481.57 g/mol
• Exact Mass: 481.16
• IUPAC Name: 3-fluoro-5-[2-[3-[(2-fluorophenyl)methoxy]-3-phenylpropyl]sulfanyl-6-methylpyrimidin-4-yl]-1,2-dihydropyridin-2-ol
• SMILES: Cc1cc(C2=CNC(O)C(F)=C2)nc(SCCC(OCc2ccccc2F)c2ccccc2)n1
• InChI: InChI=1S/C26H25F2N3O2S/c1-17-13-23(20-14-22(28)25(32)29-15-20)31-26(30-17)34-12-11-24(18-7-3-2-4-8-18)33-16-19-9-5-6-10-21(19)27/h2-10,13-15,24-25,29,32H,11-12,16H2,1H3
• InChIKey: QDTHWPYHXQPCFF-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 67.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.57
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[2-[3-[(2-fluorophenyl)methoxy]-3-phenylpropyl]sulfanyl-6-methylpyrimidin-4-yl]-1,2-dihydropyridin-2-ol?

The IUPAC name of 3-fluoro-5-[2-[3-[(2-fluorophenyl)methoxy]-3-phenylpropyl]sulfanyl-6-methylpyrimidin-4-yl]-1,2-dihydropyridin-2-ol (CID 138651390) is 3-fluoro-5-[2-[3-[(2-fluorophenyl)methoxy]-3-phenylpropyl]sulfanyl-6-methylpyrimidin-4-yl]-1,2-dihydropyridin-2-ol.

What is the SMILES notation for 3-fluoro-5-[2-[3-[(2-fluorophenyl)methoxy]-3-phenylpropyl]sulfanyl-6-methylpyrimidin-4-yl]-1,2-dihydropyridin-2-ol?

The canonical SMILES for 3-fluoro-5-[2-[3-[(2-fluorophenyl)methoxy]-3-phenylpropyl]sulfanyl-6-methylpyrimidin-4-yl]-1,2-dihydropyridin-2-ol is Cc1cc(C2=CNC(O)C(F)=C2)nc(SCCC(OCc2ccccc2F)c2ccccc2)n1.

What is the InChIKey of 3-fluoro-5-[2-[3-[(2-fluorophenyl)methoxy]-3-phenylpropyl]sulfanyl-6-methylpyrimidin-4-yl]-1,2-dihydropyridin-2-ol?

The InChIKey is QDTHWPYHXQPCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N3O2S/c1-17-13-23(20-14-22(28)25(32)29-15-20)31-26(30-17)34-12-11-24(18-7-3-2-4-8-18)33-16-19-9-5-6-10-21(19)27/h2-10,13-15,24-25,29,32H,11-12,16H2,1H3.

What are the key properties of 3-fluoro-5-[2-[3-[(2-fluorophenyl)methoxy]-3-phenylpropyl]sulfanyl-6-methylpyrimidin-4-yl]-1,2-dihydropyridin-2-ol?

3-fluoro-5-[2-[3-[(2-fluorophenyl)methoxy]-3-phenylpropyl]sulfanyl-6-methylpyrimidin-4-yl]-1,2-dihydropyridin-2-ol has a molecular weight of 481.57 g/mol, XLogP of 5.48, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-5-[2-[3-[(2-fluorophenyl)methoxy]-3-phenylpropyl]sulfanyl-6-methylpyrimidin-4-yl]-1,2-dihydropyridin-2-ol is sourced from PubChem (CID 138651390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).