5-[4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperazin-1-yl]-3-ethyl-6-methyl-1-phenylpyrimidine-2,4-dione

C25H32N6O3 — CID 50781754

About 5-[4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperazin-1-yl]-3-ethyl-6-methyl-1-phenylpyrimidine-2,4-dione

5-[4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperazin-1-yl]-3-ethyl-6-methyl-1-phenylpyrimidine-2,4-dione (PubChem CID 50781754) has the molecular formula C25H32N6O3 and a molecular weight of 464.57 g/mol. Its IUPAC name is 5-[4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperazin-1-yl]-3-ethyl-6-methyl-1-phenylpyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperazin-1-yl]-3-ethyl-6-methyl-1-phenylpyrimidine-2,4-dione
• PubChem CID: 50781754
• Molecular Formula: C25H32N6O3
• Molecular Weight: 464.57 g/mol
• Exact Mass: 464.25
• IUPAC Name: 5-[4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperazin-1-yl]-3-ethyl-6-methyl-1-phenylpyrimidine-2,4-dione
• SMILES: CCn1c(=O)c(N2CCN(C(=O)CCn3nc(C)cc3C)CC2)c(C)n(-c2ccccc2)c1=O
• InChI: InChI=1S/C25H32N6O3/c1-5-29-24(33)23(20(4)31(25(29)34)21-9-7-6-8-10-21)28-15-13-27(14-16-28)22(32)11-12-30-19(3)17-18(2)26-30/h6-10,17H,5,11-16H2,1-4H3
• InChIKey: IUBUEWIKKOLIGY-UHFFFAOYSA-N
• XLogP: 1.88
• TPSA: 85.37 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.57
LogP ≤ 5	1.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperazin-1-yl]-3-ethyl-6-methyl-1-phenylpyrimidine-2,4-dione?

The IUPAC name of 5-[4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperazin-1-yl]-3-ethyl-6-methyl-1-phenylpyrimidine-2,4-dione (CID 50781754) is 5-[4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperazin-1-yl]-3-ethyl-6-methyl-1-phenylpyrimidine-2,4-dione.

What is the SMILES notation for 5-[4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperazin-1-yl]-3-ethyl-6-methyl-1-phenylpyrimidine-2,4-dione?

The canonical SMILES for 5-[4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperazin-1-yl]-3-ethyl-6-methyl-1-phenylpyrimidine-2,4-dione is CCn1c(=O)c(N2CCN(C(=O)CCn3nc(C)cc3C)CC2)c(C)n(-c2ccccc2)c1=O.

What is the InChIKey of 5-[4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperazin-1-yl]-3-ethyl-6-methyl-1-phenylpyrimidine-2,4-dione?

The InChIKey is IUBUEWIKKOLIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O3/c1-5-29-24(33)23(20(4)31(25(29)34)21-9-7-6-8-10-21)28-15-13-27(14-16-28)22(32)11-12-30-19(3)17-18(2)26-30/h6-10,17H,5,11-16H2,1-4H3.

What are the key properties of 5-[4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperazin-1-yl]-3-ethyl-6-methyl-1-phenylpyrimidine-2,4-dione?

5-[4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperazin-1-yl]-3-ethyl-6-methyl-1-phenylpyrimidine-2,4-dione has a molecular weight of 464.57 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]piperazin-1-yl]-3-ethyl-6-methyl-1-phenylpyrimidine-2,4-dione is sourced from PubChem (CID 50781754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).