(4-methoxyphenyl)methyl 6-methyl-2-oxo-4-(5-phenylthiophen-2-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

C24H22N2O4S — CID 71552040

About (4-methoxyphenyl)methyl 6-methyl-2-oxo-4-(5-phenylthiophen-2-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

(4-methoxyphenyl)methyl 6-methyl-2-oxo-4-(5-phenylthiophen-2-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 71552040) has the molecular formula C24H22N2O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 6-methyl-2-oxo-4-(5-phenylthiophen-2-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

• Compound Name: (4-methoxyphenyl)methyl 6-methyl-2-oxo-4-(5-phenylthiophen-2-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
• PubChem CID: 71552040
• Molecular Formula: C24H22N2O4S
• Molecular Weight: 434.52 g/mol
• Exact Mass: 434.13
• IUPAC Name: (4-methoxyphenyl)methyl 6-methyl-2-oxo-4-(5-phenylthiophen-2-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
• SMILES: COc1ccc(COC(=O)C2=C(C)NC(=O)NC2c2ccc(-c3ccccc3)s2)cc1
• InChI: InChI=1S/C24H22N2O4S/c1-15-21(23(27)30-14-16-8-10-18(29-2)11-9-16)22(26-24(28)25-15)20-13-12-19(31-20)17-6-4-3-5-7-17/h3-13,22H,14H2,1-2H3,(H2,25,26,28)
• InChIKey: FEWKPUCMRUXYRM-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 76.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.52
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 6-methyl-2-oxo-4-(5-phenylthiophen-2-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The IUPAC name of (4-methoxyphenyl)methyl 6-methyl-2-oxo-4-(5-phenylthiophen-2-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 71552040) is (4-methoxyphenyl)methyl 6-methyl-2-oxo-4-(5-phenylthiophen-2-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylate.

What is the SMILES notation for (4-methoxyphenyl)methyl 6-methyl-2-oxo-4-(5-phenylthiophen-2-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The canonical SMILES for (4-methoxyphenyl)methyl 6-methyl-2-oxo-4-(5-phenylthiophen-2-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylate is COc1ccc(COC(=O)C2=C(C)NC(=O)NC2c2ccc(-c3ccccc3)s2)cc1.

What is the InChIKey of (4-methoxyphenyl)methyl 6-methyl-2-oxo-4-(5-phenylthiophen-2-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The InChIKey is FEWKPUCMRUXYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S/c1-15-21(23(27)30-14-16-8-10-18(29-2)11-9-16)22(26-24(28)25-15)20-13-12-19(31-20)17-6-4-3-5-7-17/h3-13,22H,14H2,1-2H3,(H2,25,26,28).

What are the key properties of (4-methoxyphenyl)methyl 6-methyl-2-oxo-4-(5-phenylthiophen-2-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylate?

(4-methoxyphenyl)methyl 6-methyl-2-oxo-4-(5-phenylthiophen-2-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 434.52 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4-methoxyphenyl)methyl 6-methyl-2-oxo-4-(5-phenylthiophen-2-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 71552040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).