6-amino-1-benzyl-3-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;N-(2,2-dimethylpropyl)formamide

C26H39N5O4 — CID 169167959

About 6-amino-1-benzyl-3-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;N-(2,2-dimethylpropyl)formamide

6-amino-1-benzyl-3-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;N-(2,2-dimethylpropyl)formamide (PubChem CID 169167959) has the molecular formula C26H39N5O4 and a molecular weight of 485.63 g/mol. Its IUPAC name is 6-amino-1-benzyl-3-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;N-(2,2-dimethylpropyl)formamide.

Molecular Properties

• Compound Name: 6-amino-1-benzyl-3-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;N-(2,2-dimethylpropyl)formamide
• PubChem CID: 169167959
• Molecular Formula: C26H39N5O4
• Molecular Weight: 485.63 g/mol
• Exact Mass: 485.30
• IUPAC Name: 6-amino-1-benzyl-3-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;N-(2,2-dimethylpropyl)formamide
• SMILES: CC(C)(C)CNC=O.CCn1c(=O)c(C(=O)CN2CCCCC2)c(N)n(Cc2ccccc2)c1=O
• InChI: InChI=1S/C20H26N4O3.C6H13NO/c1-2-23-19(26)17(16(25)14-22-11-7-4-8-12-22)18(21)24(20(23)27)13-15-9-5-3-6-10-15;1-6(2,3)4-7-5-8/h3,5-6,9-10H,2,4,7-8,11-14,21H2,1H3;5H,4H2,1-3H3,(H,7,8)
• InChIKey: ZJQBBFHDIGKYEL-UHFFFAOYSA-N
• XLogP: 2.11
• TPSA: 119.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.63
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-benzyl-3-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;N-(2,2-dimethylpropyl)formamide?

The IUPAC name of 6-amino-1-benzyl-3-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;N-(2,2-dimethylpropyl)formamide (CID 169167959) is 6-amino-1-benzyl-3-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;N-(2,2-dimethylpropyl)formamide.

What is the SMILES notation for 6-amino-1-benzyl-3-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;N-(2,2-dimethylpropyl)formamide?

The canonical SMILES for 6-amino-1-benzyl-3-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;N-(2,2-dimethylpropyl)formamide is CC(C)(C)CNC=O.CCn1c(=O)c(C(=O)CN2CCCCC2)c(N)n(Cc2ccccc2)c1=O.

What is the InChIKey of 6-amino-1-benzyl-3-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;N-(2,2-dimethylpropyl)formamide?

The InChIKey is ZJQBBFHDIGKYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3.C6H13NO/c1-2-23-19(26)17(16(25)14-22-11-7-4-8-12-22)18(21)24(20(23)27)13-15-9-5-3-6-10-15;1-6(2,3)4-7-5-8/h3,5-6,9-10H,2,4,7-8,11-14,21H2,1H3;5H,4H2,1-3H3,(H,7,8).

What are the key properties of 6-amino-1-benzyl-3-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;N-(2,2-dimethylpropyl)formamide?

6-amino-1-benzyl-3-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;N-(2,2-dimethylpropyl)formamide has a molecular weight of 485.63 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-1-benzyl-3-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione;N-(2,2-dimethylpropyl)formamide is sourced from PubChem (CID 169167959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).