2-methoxyethyl (4R)-4-[4-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

C24H33N3O7S — CID 26889499

About 2-methoxyethyl (4R)-4-[4-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

2-methoxyethyl (4R)-4-[4-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 26889499) has the molecular formula C24H33N3O7S and a molecular weight of 507.61 g/mol. Its IUPAC name is 2-methoxyethyl (4R)-4-[4-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

• Compound Name: 2-methoxyethyl (4R)-4-[4-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
• PubChem CID: 26889499
• Molecular Formula: C24H33N3O7S
• Molecular Weight: 507.61 g/mol
• Exact Mass: 507.20
• IUPAC Name: 2-methoxyethyl (4R)-4-[4-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
• SMILES: COCCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OCC(=O)N2C[C@H](C)O[C@@H](C)C2)c(OC)c1
• InChI: InChI=1S/C24H33N3O7S/c1-14-11-27(12-15(2)34-14)20(28)13-33-18-7-6-17(10-19(18)31-5)22-21(16(3)25-24(35)26-22)23(29)32-9-8-30-4/h6-7,10,14-15,22H,8-9,11-13H2,1-5H3,(H2,25,26,35)/t14-,15-,22+/m0/s1
• InChIKey: SCCFHVYGANHZBI-AYSMAOOMSA-N
• XLogP: 1.69
• TPSA: 107.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.61
LogP ≤ 5	1.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl (4R)-4-[4-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The IUPAC name of 2-methoxyethyl (4R)-4-[4-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 26889499) is 2-methoxyethyl (4R)-4-[4-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.

What is the SMILES notation for 2-methoxyethyl (4R)-4-[4-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The canonical SMILES for 2-methoxyethyl (4R)-4-[4-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate is COCCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OCC(=O)N2C[C@H](C)O[C@@H](C)C2)c(OC)c1.

What is the InChIKey of 2-methoxyethyl (4R)-4-[4-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The InChIKey is SCCFHVYGANHZBI-AYSMAOOMSA-N. The full InChI is InChI=1S/C24H33N3O7S/c1-14-11-27(12-15(2)34-14)20(28)13-33-18-7-6-17(10-19(18)31-5)22-21(16(3)25-24(35)26-22)23(29)32-9-8-30-4/h6-7,10,14-15,22H,8-9,11-13H2,1-5H3,(H2,25,26,35)/t14-,15-,22+/m0/s1.

What are the key properties of 2-methoxyethyl (4R)-4-[4-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate?

2-methoxyethyl (4R)-4-[4-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 507.61 g/mol, XLogP of 1.69, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxyethyl (4R)-4-[4-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 26889499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).