N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-N-(furan-2-ylmethyl)propanamide

C25H30N4O4 — CID 16549494

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-N-(furan-2-ylmethyl)propanamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-N-(furan-2-ylmethyl)propanamide (PubChem CID 16549494) has the molecular formula C25H30N4O4 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

• Compound Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-N-(furan-2-ylmethyl)propanamide
• PubChem CID: 16549494
• Molecular Formula: C25H30N4O4
• Molecular Weight: 450.54 g/mol
• Exact Mass: 450.23
• IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-N-(furan-2-ylmethyl)propanamide
• SMILES: Nc1c(N(Cc2ccco2)C(=O)CCC2CCCCC2)c(=O)[nH]c(=O)n1Cc1ccccc1
• InChI: InChI=1S/C25H30N4O4/c26-23-22(24(31)27-25(32)29(23)16-19-10-5-2-6-11-19)28(17-20-12-7-15-33-20)21(30)14-13-18-8-3-1-4-9-18/h2,5-7,10-12,15,18H,1,3-4,8-9,13-14,16-17,26H2,(H,27,31,32)
• InChIKey: WGKVIPUYLQEWAW-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 114.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.54
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-N-(furan-2-ylmethyl)propanamide?

The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-N-(furan-2-ylmethyl)propanamide (CID 16549494) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-N-(furan-2-ylmethyl)propanamide.

What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-N-(furan-2-ylmethyl)propanamide?

The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-N-(furan-2-ylmethyl)propanamide is Nc1c(N(Cc2ccco2)C(=O)CCC2CCCCC2)c(=O)[nH]c(=O)n1Cc1ccccc1.

What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-N-(furan-2-ylmethyl)propanamide?

The InChIKey is WGKVIPUYLQEWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4/c26-23-22(24(31)27-25(32)29(23)16-19-10-5-2-6-11-19)28(17-20-12-7-15-33-20)21(30)14-13-18-8-3-1-4-9-18/h2,5-7,10-12,15,18H,1,3-4,8-9,13-14,16-17,26H2,(H,27,31,32).

What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-N-(furan-2-ylmethyl)propanamide?

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-N-(furan-2-ylmethyl)propanamide has a molecular weight of 450.54 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 16549494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).