4-(2,4-dichlorophenyl)-1-ethyl-6-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione

C26H27Cl2N5O5 — CID 42873899

About 4-(2,4-dichlorophenyl)-1-ethyl-6-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione

4-(2,4-dichlorophenyl)-1-ethyl-6-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione (PubChem CID 42873899) has the molecular formula C26H27Cl2N5O5 and a molecular weight of 560.44 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-1-ethyl-6-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.

Molecular Properties

• Compound Name: 4-(2,4-dichlorophenyl)-1-ethyl-6-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
• PubChem CID: 42873899
• Molecular Formula: C26H27Cl2N5O5
• Molecular Weight: 560.44 g/mol
• Exact Mass: 559.14
• IUPAC Name: 4-(2,4-dichlorophenyl)-1-ethyl-6-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
• SMILES: CCN1C(=O)NC(c2ccc(Cl)cc2Cl)C2=C1CN(CCC(=O)N1CCN(C(=O)c3ccco3)CC1)C2=O
• InChI: InChI=1S/C26H27Cl2N5O5/c1-2-33-19-15-32(25(36)22(19)23(29-26(33)37)17-6-5-16(27)14-18(17)28)8-7-21(34)30-9-11-31(12-10-30)24(35)20-4-3-13-38-20/h3-6,13-14,23H,2,7-12,15H2,1H3,(H,29,37)
• InChIKey: UTWRZQXPTDIUOX-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 106.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	560.44
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-1-ethyl-6-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?

The IUPAC name of 4-(2,4-dichlorophenyl)-1-ethyl-6-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione (CID 42873899) is 4-(2,4-dichlorophenyl)-1-ethyl-6-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.

What is the SMILES notation for 4-(2,4-dichlorophenyl)-1-ethyl-6-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?

The canonical SMILES for 4-(2,4-dichlorophenyl)-1-ethyl-6-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione is CCN1C(=O)NC(c2ccc(Cl)cc2Cl)C2=C1CN(CCC(=O)N1CCN(C(=O)c3ccco3)CC1)C2=O.

What is the InChIKey of 4-(2,4-dichlorophenyl)-1-ethyl-6-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?

The InChIKey is UTWRZQXPTDIUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27Cl2N5O5/c1-2-33-19-15-32(25(36)22(19)23(29-26(33)37)17-6-5-16(27)14-18(17)28)8-7-21(34)30-9-11-31(12-10-30)24(35)20-4-3-13-38-20/h3-6,13-14,23H,2,7-12,15H2,1H3,(H,29,37).

What are the key properties of 4-(2,4-dichlorophenyl)-1-ethyl-6-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?

4-(2,4-dichlorophenyl)-1-ethyl-6-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione has a molecular weight of 560.44 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,4-dichlorophenyl)-1-ethyl-6-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione is sourced from PubChem (CID 42873899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).