(2,5-difluorophenyl)-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone

C18H19F2N3O2 — CID 124960361

About (2,5-difluorophenyl)-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone

(2,5-difluorophenyl)-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone (PubChem CID 124960361) has the molecular formula C18H19F2N3O2 and a molecular weight of 347.37 g/mol. Its IUPAC name is (2,5-difluorophenyl)-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone.

Molecular Properties

• Compound Name: (2,5-difluorophenyl)-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone
• PubChem CID: 124960361
• Molecular Formula: C18H19F2N3O2
• Molecular Weight: 347.37 g/mol
• Exact Mass: 347.14
• IUPAC Name: (2,5-difluorophenyl)-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone
• SMILES: Cc1cc(CC[C@@H]2CN(C(=O)c3cc(F)ccc3F)CCO2)ncn1
• InChI: InChI=1S/C18H19F2N3O2/c1-12-8-14(22-11-21-12)3-4-15-10-23(6-7-25-15)18(24)16-9-13(19)2-5-17(16)20/h2,5,8-9,11,15H,3-4,6-7,10H2,1H3/t15-/m1/s1
• InChIKey: GUCXFQAGFDGGIS-OAHLLOKOSA-N
• XLogP: 2.54
• TPSA: 55.32 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.37
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone?

The IUPAC name of (2,5-difluorophenyl)-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone (CID 124960361) is (2,5-difluorophenyl)-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone.

What is the SMILES notation for (2,5-difluorophenyl)-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone?

The canonical SMILES for (2,5-difluorophenyl)-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone is Cc1cc(CC[C@@H]2CN(C(=O)c3cc(F)ccc3F)CCO2)ncn1.

What is the InChIKey of (2,5-difluorophenyl)-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone?

The InChIKey is GUCXFQAGFDGGIS-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H19F2N3O2/c1-12-8-14(22-11-21-12)3-4-15-10-23(6-7-25-15)18(24)16-9-13(19)2-5-17(16)20/h2,5,8-9,11,15H,3-4,6-7,10H2,1H3/t15-/m1/s1.

What are the key properties of (2,5-difluorophenyl)-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone?

(2,5-difluorophenyl)-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone has a molecular weight of 347.37 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-difluorophenyl)-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone is sourced from PubChem (CID 124960361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).