ethyl (6R)-3-methyl-2-oxo-6-(3-phenoxyphenyl)-4-[(2,3,5-trimethylphenoxy)methyl]-1,6-dihydropyrimidine-5-carboxylate

C30H32N2O5 — CID 93158249

About ethyl (6R)-3-methyl-2-oxo-6-(3-phenoxyphenyl)-4-[(2,3,5-trimethylphenoxy)methyl]-1,6-dihydropyrimidine-5-carboxylate

ethyl (6R)-3-methyl-2-oxo-6-(3-phenoxyphenyl)-4-[(2,3,5-trimethylphenoxy)methyl]-1,6-dihydropyrimidine-5-carboxylate (PubChem CID 93158249) has the molecular formula C30H32N2O5 and a molecular weight of 500.60 g/mol. Its IUPAC name is ethyl (6R)-3-methyl-2-oxo-6-(3-phenoxyphenyl)-4-[(2,3,5-trimethylphenoxy)methyl]-1,6-dihydropyrimidine-5-carboxylate.

Molecular Properties

• Compound Name: ethyl (6R)-3-methyl-2-oxo-6-(3-phenoxyphenyl)-4-[(2,3,5-trimethylphenoxy)methyl]-1,6-dihydropyrimidine-5-carboxylate
• PubChem CID: 93158249
• Molecular Formula: C30H32N2O5
• Molecular Weight: 500.60 g/mol
• Exact Mass: 500.23
• IUPAC Name: ethyl (6R)-3-methyl-2-oxo-6-(3-phenoxyphenyl)-4-[(2,3,5-trimethylphenoxy)methyl]-1,6-dihydropyrimidine-5-carboxylate
• SMILES: CCOC(=O)C1=C(COc2cc(C)cc(C)c2C)N(C)C(=O)N[C@@H]1c1cccc(Oc2ccccc2)c1
• InChI: InChI=1S/C30H32N2O5/c1-6-35-29(33)27-25(18-36-26-16-19(2)15-20(3)21(26)4)32(5)30(34)31-28(27)22-11-10-14-24(17-22)37-23-12-8-7-9-13-23/h7-17,28H,6,18H2,1-5H3,(H,31,34)/t28-/m1/s1
• InChIKey: ZEHGLVULFOAZEB-MUUNZHRXSA-N
• XLogP: 6.00
• TPSA: 77.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.60
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethyl (6R)-3-methyl-2-oxo-6-(3-phenoxyphenyl)-4-[(2,3,5-trimethylphenoxy)methyl]-1,6-dihydropyrimidine-5-carboxylate?

The IUPAC name of ethyl (6R)-3-methyl-2-oxo-6-(3-phenoxyphenyl)-4-[(2,3,5-trimethylphenoxy)methyl]-1,6-dihydropyrimidine-5-carboxylate (CID 93158249) is ethyl (6R)-3-methyl-2-oxo-6-(3-phenoxyphenyl)-4-[(2,3,5-trimethylphenoxy)methyl]-1,6-dihydropyrimidine-5-carboxylate.

What is the SMILES notation for ethyl (6R)-3-methyl-2-oxo-6-(3-phenoxyphenyl)-4-[(2,3,5-trimethylphenoxy)methyl]-1,6-dihydropyrimidine-5-carboxylate?

The canonical SMILES for ethyl (6R)-3-methyl-2-oxo-6-(3-phenoxyphenyl)-4-[(2,3,5-trimethylphenoxy)methyl]-1,6-dihydropyrimidine-5-carboxylate is CCOC(=O)C1=C(COc2cc(C)cc(C)c2C)N(C)C(=O)N[C@@H]1c1cccc(Oc2ccccc2)c1.

What is the InChIKey of ethyl (6R)-3-methyl-2-oxo-6-(3-phenoxyphenyl)-4-[(2,3,5-trimethylphenoxy)methyl]-1,6-dihydropyrimidine-5-carboxylate?

The InChIKey is ZEHGLVULFOAZEB-MUUNZHRXSA-N. The full InChI is InChI=1S/C30H32N2O5/c1-6-35-29(33)27-25(18-36-26-16-19(2)15-20(3)21(26)4)32(5)30(34)31-28(27)22-11-10-14-24(17-22)37-23-12-8-7-9-13-23/h7-17,28H,6,18H2,1-5H3,(H,31,34)/t28-/m1/s1.

What are the key properties of ethyl (6R)-3-methyl-2-oxo-6-(3-phenoxyphenyl)-4-[(2,3,5-trimethylphenoxy)methyl]-1,6-dihydropyrimidine-5-carboxylate?

ethyl (6R)-3-methyl-2-oxo-6-(3-phenoxyphenyl)-4-[(2,3,5-trimethylphenoxy)methyl]-1,6-dihydropyrimidine-5-carboxylate has a molecular weight of 500.60 g/mol, XLogP of 6.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (6R)-3-methyl-2-oxo-6-(3-phenoxyphenyl)-4-[(2,3,5-trimethylphenoxy)methyl]-1,6-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 93158249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).