6-amino-1-benzyl-5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-methylpyrimidine-2,4-dione

C23H25N5O5 — CID 4316106

About 6-amino-1-benzyl-5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-methylpyrimidine-2,4-dione

6-amino-1-benzyl-5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-methylpyrimidine-2,4-dione (PubChem CID 4316106) has the molecular formula C23H25N5O5 and a molecular weight of 451.48 g/mol. Its IUPAC name is 6-amino-1-benzyl-5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-methylpyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 6-amino-1-benzyl-5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-methylpyrimidine-2,4-dione
• PubChem CID: 4316106
• Molecular Formula: C23H25N5O5
• Molecular Weight: 451.48 g/mol
• Exact Mass: 451.19
• IUPAC Name: 6-amino-1-benzyl-5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-methylpyrimidine-2,4-dione
• SMILES: Cn1c(=O)c(C(=O)CN2CCN(C(=O)c3ccco3)CC2)c(N)n(Cc2ccccc2)c1=O
• InChI: InChI=1S/C23H25N5O5/c1-25-22(31)19(20(24)28(23(25)32)14-16-6-3-2-4-7-16)17(29)15-26-9-11-27(12-10-26)21(30)18-8-5-13-33-18/h2-8,13H,9-12,14-15,24H2,1H3
• InChIKey: CFAPXENWEKWZQQ-UHFFFAOYSA-N
• XLogP: 0.41
• TPSA: 123.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.48
LogP ≤ 5	0.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-benzyl-5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-methylpyrimidine-2,4-dione?

The IUPAC name of 6-amino-1-benzyl-5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-methylpyrimidine-2,4-dione (CID 4316106) is 6-amino-1-benzyl-5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-methylpyrimidine-2,4-dione.

What is the SMILES notation for 6-amino-1-benzyl-5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-methylpyrimidine-2,4-dione?

The canonical SMILES for 6-amino-1-benzyl-5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-methylpyrimidine-2,4-dione is Cn1c(=O)c(C(=O)CN2CCN(C(=O)c3ccco3)CC2)c(N)n(Cc2ccccc2)c1=O.

What is the InChIKey of 6-amino-1-benzyl-5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-methylpyrimidine-2,4-dione?

The InChIKey is CFAPXENWEKWZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O5/c1-25-22(31)19(20(24)28(23(25)32)14-16-6-3-2-4-7-16)17(29)15-26-9-11-27(12-10-26)21(30)18-8-5-13-33-18/h2-8,13H,9-12,14-15,24H2,1H3.

What are the key properties of 6-amino-1-benzyl-5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-methylpyrimidine-2,4-dione?

6-amino-1-benzyl-5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-methylpyrimidine-2,4-dione has a molecular weight of 451.48 g/mol, XLogP of 0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-1-benzyl-5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 4316106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).