2-(2-fluorophenyl)-2-methyl-1-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one

C20H25FN4O — CID 110091144

About 2-(2-fluorophenyl)-2-methyl-1-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one

2-(2-fluorophenyl)-2-methyl-1-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one (PubChem CID 110091144) has the molecular formula C20H25FN4O and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-2-methyl-1-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 2-(2-fluorophenyl)-2-methyl-1-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
• PubChem CID: 110091144
• Molecular Formula: C20H25FN4O
• Molecular Weight: 356.45 g/mol
• Exact Mass: 356.20
• IUPAC Name: 2-(2-fluorophenyl)-2-methyl-1-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
• SMILES: CNc1cc(C2CCCN2C(=O)C(C)(C)c2ccccc2F)nc(C)n1
• InChI: InChI=1S/C20H25FN4O/c1-13-23-16(12-18(22-4)24-13)17-10-7-11-25(17)19(26)20(2,3)14-8-5-6-9-15(14)21/h5-6,8-9,12,17H,7,10-11H2,1-4H3,(H,22,23,24)
• InChIKey: OTDQAACKDXIQHG-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.45
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-2-methyl-1-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one?

The IUPAC name of 2-(2-fluorophenyl)-2-methyl-1-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one (CID 110091144) is 2-(2-fluorophenyl)-2-methyl-1-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one.

What is the SMILES notation for 2-(2-fluorophenyl)-2-methyl-1-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one?

The canonical SMILES for 2-(2-fluorophenyl)-2-methyl-1-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one is CNc1cc(C2CCCN2C(=O)C(C)(C)c2ccccc2F)nc(C)n1.

What is the InChIKey of 2-(2-fluorophenyl)-2-methyl-1-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one?

The InChIKey is OTDQAACKDXIQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O/c1-13-23-16(12-18(22-4)24-13)17-10-7-11-25(17)19(26)20(2,3)14-8-5-6-9-15(14)21/h5-6,8-9,12,17H,7,10-11H2,1-4H3,(H,22,23,24).

What are the key properties of 2-(2-fluorophenyl)-2-methyl-1-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one?

2-(2-fluorophenyl)-2-methyl-1-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 356.45 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-fluorophenyl)-2-methyl-1-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 110091144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).