4-(4-methoxyphenyl)-6-(2-morpholin-4-ylethyl)-1-prop-2-enyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione

C22H28N4O4 — CID 42790547

About 4-(4-methoxyphenyl)-6-(2-morpholin-4-ylethyl)-1-prop-2-enyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione

4-(4-methoxyphenyl)-6-(2-morpholin-4-ylethyl)-1-prop-2-enyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione (PubChem CID 42790547) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-6-(2-morpholin-4-ylethyl)-1-prop-2-enyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.

Molecular Properties

• Compound Name: 4-(4-methoxyphenyl)-6-(2-morpholin-4-ylethyl)-1-prop-2-enyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
• PubChem CID: 42790547
• Molecular Formula: C22H28N4O4
• Molecular Weight: 412.49 g/mol
• Exact Mass: 412.21
• IUPAC Name: 4-(4-methoxyphenyl)-6-(2-morpholin-4-ylethyl)-1-prop-2-enyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
• SMILES: C=CCN1C(=O)NC(c2ccc(OC)cc2)C2=C1CN(CCN1CCOCC1)C2=O
• InChI: InChI=1S/C22H28N4O4/c1-3-8-26-18-15-25(10-9-24-11-13-30-14-12-24)21(27)19(18)20(23-22(26)28)16-4-6-17(29-2)7-5-16/h3-7,20H,1,8-15H2,2H3,(H,23,28)
• InChIKey: WFZPPKUXRDXPPI-UHFFFAOYSA-N
• XLogP: 1.38
• TPSA: 74.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.49
LogP ≤ 5	1.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-6-(2-morpholin-4-ylethyl)-1-prop-2-enyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?

The IUPAC name of 4-(4-methoxyphenyl)-6-(2-morpholin-4-ylethyl)-1-prop-2-enyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione (CID 42790547) is 4-(4-methoxyphenyl)-6-(2-morpholin-4-ylethyl)-1-prop-2-enyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.

What is the SMILES notation for 4-(4-methoxyphenyl)-6-(2-morpholin-4-ylethyl)-1-prop-2-enyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?

The canonical SMILES for 4-(4-methoxyphenyl)-6-(2-morpholin-4-ylethyl)-1-prop-2-enyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione is C=CCN1C(=O)NC(c2ccc(OC)cc2)C2=C1CN(CCN1CCOCC1)C2=O.

What is the InChIKey of 4-(4-methoxyphenyl)-6-(2-morpholin-4-ylethyl)-1-prop-2-enyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?

The InChIKey is WFZPPKUXRDXPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4/c1-3-8-26-18-15-25(10-9-24-11-13-30-14-12-24)21(27)19(18)20(23-22(26)28)16-4-6-17(29-2)7-5-16/h3-7,20H,1,8-15H2,2H3,(H,23,28).

What are the key properties of 4-(4-methoxyphenyl)-6-(2-morpholin-4-ylethyl)-1-prop-2-enyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?

4-(4-methoxyphenyl)-6-(2-morpholin-4-ylethyl)-1-prop-2-enyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione has a molecular weight of 412.49 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-methoxyphenyl)-6-(2-morpholin-4-ylethyl)-1-prop-2-enyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione is sourced from PubChem (CID 42790547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).