3-methoxy-1-[2-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one

C17H23N5O2 — CID 110099604

About 3-methoxy-1-[2-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one

3-methoxy-1-[2-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one (PubChem CID 110099604) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-methoxy-1-[2-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-methoxy-1-[2-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
• PubChem CID: 110099604
• Molecular Formula: C17H23N5O2
• Molecular Weight: 329.40 g/mol
• Exact Mass: 329.19
• IUPAC Name: 3-methoxy-1-[2-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
• SMILES: COCCC(=O)N1CCCC1c1nc(C)cc(-c2ncc(C)[nH]2)n1
• InChI: InChI=1S/C17H23N5O2/c1-11-9-13(16-18-10-12(2)20-16)21-17(19-11)14-5-4-7-22(14)15(23)6-8-24-3/h9-10,14H,4-8H2,1-3H3,(H,18,20)
• InChIKey: IJANYGZVVSEYDX-UHFFFAOYSA-N
• XLogP: 2.18
• TPSA: 84.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	329.40
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[2-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one?

The IUPAC name of 3-methoxy-1-[2-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one (CID 110099604) is 3-methoxy-1-[2-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one.

What is the SMILES notation for 3-methoxy-1-[2-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one?

The canonical SMILES for 3-methoxy-1-[2-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one is COCCC(=O)N1CCCC1c1nc(C)cc(-c2ncc(C)[nH]2)n1.

What is the InChIKey of 3-methoxy-1-[2-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one?

The InChIKey is IJANYGZVVSEYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-11-9-13(16-18-10-12(2)20-16)21-17(19-11)14-5-4-7-22(14)15(23)6-8-24-3/h9-10,14H,4-8H2,1-3H3,(H,18,20).

What are the key properties of 3-methoxy-1-[2-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one?

3-methoxy-1-[2-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 329.40 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxy-1-[2-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 110099604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).