4-(3,4-dichlorophenyl)-6-[2-(dimethylamino)ethyl]-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione

C17H20Cl2N4O2 — CID 42792917

About 4-(3,4-dichlorophenyl)-6-[2-(dimethylamino)ethyl]-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione

4-(3,4-dichlorophenyl)-6-[2-(dimethylamino)ethyl]-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione (PubChem CID 42792917) has the molecular formula C17H20Cl2N4O2 and a molecular weight of 383.28 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-6-[2-(dimethylamino)ethyl]-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.

Molecular Properties

• Compound Name: 4-(3,4-dichlorophenyl)-6-[2-(dimethylamino)ethyl]-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
• PubChem CID: 42792917
• Molecular Formula: C17H20Cl2N4O2
• Molecular Weight: 383.28 g/mol
• Exact Mass: 382.10
• IUPAC Name: 4-(3,4-dichlorophenyl)-6-[2-(dimethylamino)ethyl]-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
• SMILES: CN(C)CCN1CC2=C(C1=O)C(c1ccc(Cl)c(Cl)c1)NC(=O)N2C
• InChI: InChI=1S/C17H20Cl2N4O2/c1-21(2)6-7-23-9-13-14(16(23)24)15(20-17(25)22(13)3)10-4-5-11(18)12(19)8-10/h4-5,8,15H,6-7,9H2,1-3H3,(H,20,25)
• InChIKey: FUCVZNVXZQHTBC-UHFFFAOYSA-N
• XLogP: 2.35
• TPSA: 55.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.28
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 4-(3,4-dichlorophenyl)-6-[2-(dimethylamino)ethyl]-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione (CID 42792917) is 4-(3,4-dichlorophenyl)-6-[2-(dimethylamino)ethyl]-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione.

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

The canonical SMILES for 4-(3,4-dichlorophenyl)-6-[2-(dimethylamino)ethyl]-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione is CN(C)CCN1CC2=C(C1=O)C(c1ccc(Cl)c(Cl)c1)NC(=O)N2C.

What is the InChIKey of 4-(3,4-dichlorophenyl)-6-[2-(dimethylamino)ethyl]-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione?

The InChIKey is FUCVZNVXZQHTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N4O2/c1-21(2)6-7-23-9-13-14(16(23)24)15(20-17(25)22(13)3)10-4-5-11(18)12(19)8-10/h4-5,8,15H,6-7,9H2,1-3H3,(H,20,25).

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

4-(3,4-dichlorophenyl)-6-[2-(dimethylamino)ethyl]-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione has a molecular weight of 383.28 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,4-dichlorophenyl)-6-[2-(dimethylamino)ethyl]-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione is sourced from PubChem (CID 42792917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).