2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide

C18H24N6O2 — CID 122317893

About 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide

2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide (PubChem CID 122317893) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide
• PubChem CID: 122317893
• Molecular Formula: C18H24N6O2
• Molecular Weight: 356.43 g/mol
• Exact Mass: 356.20
• IUPAC Name: 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide
• SMILES: Cc1cc(N2CCCC2)nc(CNC(=O)Cn2cnc(C)c(C)c2=O)n1
• InChI: InChI=1S/C18H24N6O2/c1-12-8-16(23-6-4-5-7-23)22-15(21-12)9-19-17(25)10-24-11-20-14(3)13(2)18(24)26/h8,11H,4-7,9-10H2,1-3H3,(H,19,25)
• InChIKey: LHENSPPPUQCZTP-UHFFFAOYSA-N
• XLogP: 0.88
• TPSA: 93.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.43
LogP ≤ 5	0.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide?

The IUPAC name of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide (CID 122317893) is 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide.

What is the SMILES notation for 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide?

The canonical SMILES for 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide is Cc1cc(N2CCCC2)nc(CNC(=O)Cn2cnc(C)c(C)c2=O)n1.

What is the InChIKey of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide?

The InChIKey is LHENSPPPUQCZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-12-8-16(23-6-4-5-7-23)22-15(21-12)9-19-17(25)10-24-11-20-14(3)13(2)18(24)26/h8,11H,4-7,9-10H2,1-3H3,(H,19,25).

What are the key properties of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide?

2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide has a molecular weight of 356.43 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide is sourced from PubChem (CID 122317893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).