1-[(2R)-2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(2-fluorophenoxy)ethanone

C24H26FN5O2 — CID 92563650

About 1-[(2R)-2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(2-fluorophenoxy)ethanone

1-[(2R)-2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(2-fluorophenoxy)ethanone (PubChem CID 92563650) has the molecular formula C24H26FN5O2 and a molecular weight of 435.50 g/mol. Its IUPAC name is 1-[(2R)-2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(2-fluorophenoxy)ethanone.

Molecular Properties

• Compound Name: 1-[(2R)-2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(2-fluorophenoxy)ethanone
• PubChem CID: 92563650
• Molecular Formula: C24H26FN5O2
• Molecular Weight: 435.50 g/mol
• Exact Mass: 435.21
• IUPAC Name: 1-[(2R)-2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(2-fluorophenoxy)ethanone
• SMILES: Cc1cnccc1-c1cnc(N(C)C)nc1[C@H]1CCCN1C(=O)COc1ccccc1F
• InChI: InChI=1S/C24H26FN5O2/c1-16-13-26-11-10-17(16)18-14-27-24(29(2)3)28-23(18)20-8-6-12-30(20)22(31)15-32-21-9-5-4-7-19(21)25/h4-5,7,9-11,13-14,20H,6,8,12,15H2,1-3H3/t20-/m1/s1
• InChIKey: VUZXYZQETACIEW-HXUWFJFHSA-N
• XLogP: 3.79
• TPSA: 71.45 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.50
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(2-fluorophenoxy)ethanone?

The IUPAC name of 1-[(2R)-2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(2-fluorophenoxy)ethanone (CID 92563650) is 1-[(2R)-2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(2-fluorophenoxy)ethanone.

What is the SMILES notation for 1-[(2R)-2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(2-fluorophenoxy)ethanone?

The canonical SMILES for 1-[(2R)-2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(2-fluorophenoxy)ethanone is Cc1cnccc1-c1cnc(N(C)C)nc1[C@H]1CCCN1C(=O)COc1ccccc1F.

What is the InChIKey of 1-[(2R)-2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(2-fluorophenoxy)ethanone?

The InChIKey is VUZXYZQETACIEW-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H26FN5O2/c1-16-13-26-11-10-17(16)18-14-27-24(29(2)3)28-23(18)20-8-6-12-30(20)22(31)15-32-21-9-5-4-7-19(21)25/h4-5,7,9-11,13-14,20H,6,8,12,15H2,1-3H3/t20-/m1/s1.

What are the key properties of 1-[(2R)-2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(2-fluorophenoxy)ethanone?

1-[(2R)-2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(2-fluorophenoxy)ethanone has a molecular weight of 435.50 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(2-fluorophenoxy)ethanone is sourced from PubChem (CID 92563650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).