ethyl (4R)-6-[[4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carbonyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

C18H25N3O6 — CID 7915081

About ethyl (4R)-6-[[4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carbonyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

ethyl (4R)-6-[[4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carbonyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 7915081) has the molecular formula C18H25N3O6 and a molecular weight of 379.41 g/mol. Its IUPAC name is ethyl (4R)-6-[[4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carbonyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

• Compound Name: ethyl (4R)-6-[[4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carbonyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
• PubChem CID: 7915081
• Molecular Formula: C18H25N3O6
• Molecular Weight: 379.41 g/mol
• Exact Mass: 379.17
• IUPAC Name: ethyl (4R)-6-[[4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carbonyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
• SMILES: CCOC(=O)C1=C(COC(=O)c2[nH]c(C)c([C@H](C)O)c2C)NC(=O)N[C@@H]1C
• InChI: InChI=1S/C18H25N3O6/c1-6-26-16(23)14-10(4)20-18(25)21-12(14)7-27-17(24)15-8(2)13(11(5)22)9(3)19-15/h10-11,19,22H,6-7H2,1-5H3,(H2,20,21,25)/t10-,11+/m1/s1
• InChIKey: AXGNKTBIGZXICX-MNOVXSKESA-N
• XLogP: 1.36
• TPSA: 129.75 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.41
LogP ≤ 5	1.36
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-6-[[4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carbonyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The IUPAC name of ethyl (4R)-6-[[4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carbonyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 7915081) is ethyl (4R)-6-[[4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carbonyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

What is the SMILES notation for ethyl (4R)-6-[[4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carbonyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The canonical SMILES for ethyl (4R)-6-[[4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carbonyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(COC(=O)c2[nH]c(C)c([C@H](C)O)c2C)NC(=O)N[C@@H]1C.

What is the InChIKey of ethyl (4R)-6-[[4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carbonyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The InChIKey is AXGNKTBIGZXICX-MNOVXSKESA-N. The full InChI is InChI=1S/C18H25N3O6/c1-6-26-16(23)14-10(4)20-18(25)21-12(14)7-27-17(24)15-8(2)13(11(5)22)9(3)19-15/h10-11,19,22H,6-7H2,1-5H3,(H2,20,21,25)/t10-,11+/m1/s1.

What are the key properties of ethyl (4R)-6-[[4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carbonyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?

ethyl (4R)-6-[[4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carbonyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 379.41 g/mol, XLogP of 1.36, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (4R)-6-[[4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carbonyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 7915081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).