N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-pentylpropanamide

C25H42N6O3 — CID 55427067

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-pentylpropanamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-pentylpropanamide (PubChem CID 55427067) has the molecular formula C25H42N6O3 and a molecular weight of 474.65 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-pentylpropanamide.

Molecular Properties

• Compound Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-pentylpropanamide
• PubChem CID: 55427067
• Molecular Formula: C25H42N6O3
• Molecular Weight: 474.65 g/mol
• Exact Mass: 474.33
• IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-pentylpropanamide
• SMILES: CCCCCN(C(=O)CCc1c(C)nn(CC(C)C)c1C)c1c(N)n(CCCC)c(=O)[nH]c1=O
• InChI: InChI=1S/C25H42N6O3/c1-7-9-11-15-29(22-23(26)30(14-10-8-2)25(34)27-24(22)33)21(32)13-12-20-18(5)28-31(19(20)6)16-17(3)4/h17H,7-16,26H2,1-6H3,(H,27,33,34)
• InChIKey: RQJFMZXDUZSPOT-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 119.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.65
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-pentylpropanamide?

The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-pentylpropanamide (CID 55427067) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-pentylpropanamide.

What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-pentylpropanamide?

The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-pentylpropanamide is CCCCCN(C(=O)CCc1c(C)nn(CC(C)C)c1C)c1c(N)n(CCCC)c(=O)[nH]c1=O.

What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-pentylpropanamide?

The InChIKey is RQJFMZXDUZSPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N6O3/c1-7-9-11-15-29(22-23(26)30(14-10-8-2)25(34)27-24(22)33)21(32)13-12-20-18(5)28-31(19(20)6)16-17(3)4/h17H,7-16,26H2,1-6H3,(H,27,33,34).

What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-pentylpropanamide?

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-pentylpropanamide has a molecular weight of 474.65 g/mol, XLogP of 3.54, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-pentylpropanamide is sourced from PubChem (CID 55427067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).