3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide

C21H28N4O2 — CID 70778946

About 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide

3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide (PubChem CID 70778946) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide.

Molecular Properties

• Compound Name: 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
• PubChem CID: 70778946
• Molecular Formula: C21H28N4O2
• Molecular Weight: 368.48 g/mol
• Exact Mass: 368.22
• IUPAC Name: 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
• SMILES: Cc1nc(=O)[nH]c(C)c1CCC(=O)N(C)CC1CCN(c2ccccc2)C1
• InChI: InChI=1S/C21H28N4O2/c1-15-19(16(2)23-21(27)22-15)9-10-20(26)24(3)13-17-11-12-25(14-17)18-7-5-4-6-8-18/h4-8,17H,9-14H2,1-3H3,(H,22,23,27)
• InChIKey: GJTKBRBRSISSLP-UHFFFAOYSA-N
• XLogP: 2.30
• TPSA: 69.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.48
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide?

The IUPAC name of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide (CID 70778946) is 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide.

What is the SMILES notation for 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide?

The canonical SMILES for 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide is Cc1nc(=O)[nH]c(C)c1CCC(=O)N(C)CC1CCN(c2ccccc2)C1.

What is the InChIKey of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide?

The InChIKey is GJTKBRBRSISSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-15-19(16(2)23-21(27)22-15)9-10-20(26)24(3)13-17-11-12-25(14-17)18-7-5-4-6-8-18/h4-8,17H,9-14H2,1-3H3,(H,22,23,27).

What are the key properties of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide?

3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide has a molecular weight of 368.48 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide is sourced from PubChem (CID 70778946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).