6-[(3,5-dichlorophenyl)methyl]-5-ethyl-1-[[(E)-2-methyl-3-phenylprop-2-enoxy]methyl]pyrimidine-2,4-dione

C24H24Cl2N2O3 — CID 5279588

About 6-[(3,5-dichlorophenyl)methyl]-5-ethyl-1-[[(E)-2-methyl-3-phenylprop-2-enoxy]methyl]pyrimidine-2,4-dione

6-[(3,5-dichlorophenyl)methyl]-5-ethyl-1-[[(E)-2-methyl-3-phenylprop-2-enoxy]methyl]pyrimidine-2,4-dione (PubChem CID 5279588) has the molecular formula C24H24Cl2N2O3 and a molecular weight of 459.37 g/mol. Its IUPAC name is 6-[(3,5-dichlorophenyl)methyl]-5-ethyl-1-[[(E)-2-methyl-3-phenylprop-2-enoxy]methyl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 6-[(3,5-dichlorophenyl)methyl]-5-ethyl-1-[[(E)-2-methyl-3-phenylprop-2-enoxy]methyl]pyrimidine-2,4-dione
• PubChem CID: 5279588
• Molecular Formula: C24H24Cl2N2O3
• Molecular Weight: 459.37 g/mol
• Exact Mass: 458.12
• IUPAC Name: 6-[(3,5-dichlorophenyl)methyl]-5-ethyl-1-[[(E)-2-methyl-3-phenylprop-2-enoxy]methyl]pyrimidine-2,4-dione
• SMILES: CCc1c(Cc2cc(Cl)cc(Cl)c2)n(COC/C(C)=C/c2ccccc2)c(=O)[nH]c1=O
• InChI: InChI=1S/C24H24Cl2N2O3/c1-3-21-22(12-18-10-19(25)13-20(26)11-18)28(24(30)27-23(21)29)15-31-14-16(2)9-17-7-5-4-6-8-17/h4-11,13H,3,12,14-15H2,1-2H3,(H,27,29,30)/b16-9+
• InChIKey: MAGCSLZXGQZXKO-CXUHLZMHSA-N
• XLogP: 5.07
• TPSA: 64.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.37
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-[(3,5-dichlorophenyl)methyl]-5-ethyl-1-[[(E)-2-methyl-3-phenylprop-2-enoxy]methyl]pyrimidine-2,4-dione?

The IUPAC name of 6-[(3,5-dichlorophenyl)methyl]-5-ethyl-1-[[(E)-2-methyl-3-phenylprop-2-enoxy]methyl]pyrimidine-2,4-dione (CID 5279588) is 6-[(3,5-dichlorophenyl)methyl]-5-ethyl-1-[[(E)-2-methyl-3-phenylprop-2-enoxy]methyl]pyrimidine-2,4-dione.

What is the SMILES notation for 6-[(3,5-dichlorophenyl)methyl]-5-ethyl-1-[[(E)-2-methyl-3-phenylprop-2-enoxy]methyl]pyrimidine-2,4-dione?

The canonical SMILES for 6-[(3,5-dichlorophenyl)methyl]-5-ethyl-1-[[(E)-2-methyl-3-phenylprop-2-enoxy]methyl]pyrimidine-2,4-dione is CCc1c(Cc2cc(Cl)cc(Cl)c2)n(COC/C(C)=C/c2ccccc2)c(=O)[nH]c1=O.

What is the InChIKey of 6-[(3,5-dichlorophenyl)methyl]-5-ethyl-1-[[(E)-2-methyl-3-phenylprop-2-enoxy]methyl]pyrimidine-2,4-dione?

The InChIKey is MAGCSLZXGQZXKO-CXUHLZMHSA-N. The full InChI is InChI=1S/C24H24Cl2N2O3/c1-3-21-22(12-18-10-19(25)13-20(26)11-18)28(24(30)27-23(21)29)15-31-14-16(2)9-17-7-5-4-6-8-17/h4-11,13H,3,12,14-15H2,1-2H3,(H,27,29,30)/b16-9+.

What are the key properties of 6-[(3,5-dichlorophenyl)methyl]-5-ethyl-1-[[(E)-2-methyl-3-phenylprop-2-enoxy]methyl]pyrimidine-2,4-dione?

6-[(3,5-dichlorophenyl)methyl]-5-ethyl-1-[[(E)-2-methyl-3-phenylprop-2-enoxy]methyl]pyrimidine-2,4-dione has a molecular weight of 459.37 g/mol, XLogP of 5.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3,5-dichlorophenyl)methyl]-5-ethyl-1-[[(E)-2-methyl-3-phenylprop-2-enoxy]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 5279588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).