N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]acetamide

C20H31N7O — CID 71864592

About N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]acetamide

N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]acetamide (PubChem CID 71864592) has the molecular formula C20H31N7O and a molecular weight of 385.52 g/mol. Its IUPAC name is N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]acetamide.

Molecular Properties

• Compound Name: N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]acetamide
• PubChem CID: 71864592
• Molecular Formula: C20H31N7O
• Molecular Weight: 385.52 g/mol
• Exact Mass: 385.26
• IUPAC Name: N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]acetamide
• SMILES: CCN1CCCC1CN(C)CC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1
• InChI: InChI=1S/C20H31N7O/c1-6-26-9-7-8-17(26)12-25(5)13-19(28)23-18-11-16(4)24-27(18)20-21-14(2)10-15(3)22-20/h10-11,17H,6-9,12-13H2,1-5H3,(H,23,28)
• InChIKey: HRCIEOIDUXOPCC-UHFFFAOYSA-N
• XLogP: 1.94
• TPSA: 79.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.52
LogP ≤ 5	1.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]acetamide?

The IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]acetamide (CID 71864592) is N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]acetamide.

What is the SMILES notation for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]acetamide?

The canonical SMILES for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]acetamide is CCN1CCCC1CN(C)CC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1.

What is the InChIKey of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]acetamide?

The InChIKey is HRCIEOIDUXOPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N7O/c1-6-26-9-7-8-17(26)12-25(5)13-19(28)23-18-11-16(4)24-27(18)20-21-14(2)10-15(3)22-20/h10-11,17H,6-9,12-13H2,1-5H3,(H,23,28).

What are the key properties of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]acetamide?

N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]acetamide has a molecular weight of 385.52 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]acetamide is sourced from PubChem (CID 71864592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).