5-[6-methyl-5-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione

C21H19N5O2 — CID 162433974

About 5-[6-methyl-5-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione

5-[6-methyl-5-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione (PubChem CID 162433974) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 5-[6-methyl-5-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[6-methyl-5-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
• PubChem CID: 162433974
• Molecular Formula: C21H19N5O2
• Molecular Weight: 373.42 g/mol
• Exact Mass: 373.15
• IUPAC Name: 5-[6-methyl-5-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
• SMILES: Cc1ccc(Cn2ccc(-c3cc(-c4c[nH]c(=O)[nH]c4=O)nnc3C)c2)cc1
• InChI: InChI=1S/C21H19N5O2/c1-13-3-5-15(6-4-13)11-26-8-7-16(12-26)17-9-19(25-24-14(17)2)18-10-22-21(28)23-20(18)27/h3-10,12H,11H2,1-2H3,(H2,22,23,27,28)
• InChIKey: DHQUIIKYWYXEIJ-UHFFFAOYSA-N
• XLogP: 2.65
• TPSA: 96.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.42
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[6-methyl-5-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?

The IUPAC name of 5-[6-methyl-5-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione (CID 162433974) is 5-[6-methyl-5-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione.

What is the SMILES notation for 5-[6-methyl-5-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?

The canonical SMILES for 5-[6-methyl-5-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione is Cc1ccc(Cn2ccc(-c3cc(-c4c[nH]c(=O)[nH]c4=O)nnc3C)c2)cc1.

What is the InChIKey of 5-[6-methyl-5-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?

The InChIKey is DHQUIIKYWYXEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-13-3-5-15(6-4-13)11-26-8-7-16(12-26)17-9-19(25-24-14(17)2)18-10-22-21(28)23-20(18)27/h3-10,12H,11H2,1-2H3,(H2,22,23,27,28).

What are the key properties of 5-[6-methyl-5-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?

5-[6-methyl-5-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 373.42 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-methyl-5-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 162433974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).