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

C22H24N2O5 — CID 1351228

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

(4-methoxyphenyl)methyl (4R)-4-(2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 1351228) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl (4R)-4-(2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

• Compound Name: (4-methoxyphenyl)methyl (4R)-4-(2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
• PubChem CID: 1351228
• Molecular Formula: C22H24N2O5
• Molecular Weight: 396.44 g/mol
• Exact Mass: 396.17
• IUPAC Name: (4-methoxyphenyl)methyl (4R)-4-(2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
• SMILES: CCOc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)OCc1ccc(OC)cc1
• InChI: InChI=1S/C22H24N2O5/c1-4-28-18-8-6-5-7-17(18)20-19(14(2)23-22(26)24-20)21(25)29-13-15-9-11-16(27-3)12-10-15/h5-12,20H,4,13H2,1-3H3,(H2,23,24,26)/t20-/m1/s1
• InChIKey: GZKSIULXNQLTJH-HXUWFJFHSA-N
• XLogP: 3.47
• TPSA: 85.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.44
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (4-methoxyphenyl)methyl (4R)-4-(2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 1351228) is (4-methoxyphenyl)methyl (4R)-4-(2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

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

The canonical SMILES for (4-methoxyphenyl)methyl (4R)-4-(2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)OCc1ccc(OC)cc1.

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

The InChIKey is GZKSIULXNQLTJH-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-4-28-18-8-6-5-7-17(18)20-19(14(2)23-22(26)24-20)21(25)29-13-15-9-11-16(27-3)12-10-15/h5-12,20H,4,13H2,1-3H3,(H2,23,24,26)/t20-/m1/s1.

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

(4-methoxyphenyl)methyl (4R)-4-(2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 396.44 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4-methoxyphenyl)methyl (4R)-4-(2-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 1351228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).