6-amino-1-benzyl-5-[ethyl-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]pyrimidine-2,4-dione

C24H28N6O4S — CID 43039348

About 6-amino-1-benzyl-5-[ethyl-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]pyrimidine-2,4-dione

6-amino-1-benzyl-5-[ethyl-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]pyrimidine-2,4-dione (PubChem CID 43039348) has the molecular formula C24H28N6O4S and a molecular weight of 496.59 g/mol. Its IUPAC name is 6-amino-1-benzyl-5-[ethyl-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 6-amino-1-benzyl-5-[ethyl-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]pyrimidine-2,4-dione
• PubChem CID: 43039348
• Molecular Formula: C24H28N6O4S
• Molecular Weight: 496.59 g/mol
• Exact Mass: 496.19
• IUPAC Name: 6-amino-1-benzyl-5-[ethyl-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]pyrimidine-2,4-dione
• SMILES: CCN(CC(=O)N1CCN(C(=O)c2cccs2)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
• InChI: InChI=1S/C24H28N6O4S/c1-2-27(16-19(31)28-10-12-29(13-11-28)23(33)18-9-6-14-35-18)20-21(25)30(24(34)26-22(20)32)15-17-7-4-3-5-8-17/h3-9,14H,2,10-13,15-16,25H2,1H3,(H,26,32,34)
• InChIKey: QOPPJYLEBWSUCZ-UHFFFAOYSA-N
• XLogP: 1.04
• TPSA: 124.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.59
LogP ≤ 5	1.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-benzyl-5-[ethyl-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]pyrimidine-2,4-dione?

The IUPAC name of 6-amino-1-benzyl-5-[ethyl-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]pyrimidine-2,4-dione (CID 43039348) is 6-amino-1-benzyl-5-[ethyl-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]pyrimidine-2,4-dione.

What is the SMILES notation for 6-amino-1-benzyl-5-[ethyl-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]pyrimidine-2,4-dione?

The canonical SMILES for 6-amino-1-benzyl-5-[ethyl-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]pyrimidine-2,4-dione is CCN(CC(=O)N1CCN(C(=O)c2cccs2)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.

What is the InChIKey of 6-amino-1-benzyl-5-[ethyl-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]pyrimidine-2,4-dione?

The InChIKey is QOPPJYLEBWSUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O4S/c1-2-27(16-19(31)28-10-12-29(13-11-28)23(33)18-9-6-14-35-18)20-21(25)30(24(34)26-22(20)32)15-17-7-4-3-5-8-17/h3-9,14H,2,10-13,15-16,25H2,1H3,(H,26,32,34).

What are the key properties of 6-amino-1-benzyl-5-[ethyl-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]pyrimidine-2,4-dione?

6-amino-1-benzyl-5-[ethyl-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]pyrimidine-2,4-dione has a molecular weight of 496.59 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-1-benzyl-5-[ethyl-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]amino]pyrimidine-2,4-dione is sourced from PubChem (CID 43039348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).