ethyl (4R)-4-[4-[2-[(2Z)-2-[(2-hydroxy-5-phenyldiazenylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

C30H30N6O7 — CID 137079735

About ethyl (4R)-4-[4-[2-[(2Z)-2-[(2-hydroxy-5-phenyldiazenylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

ethyl (4R)-4-[4-[2-[(2Z)-2-[(2-hydroxy-5-phenyldiazenylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 137079735) has the molecular formula C30H30N6O7 and a molecular weight of 586.61 g/mol. Its IUPAC name is ethyl (4R)-4-[4-[2-[(2Z)-2-[(2-hydroxy-5-phenyldiazenylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

• Compound Name: ethyl (4R)-4-[4-[2-[(2Z)-2-[(2-hydroxy-5-phenyldiazenylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
• PubChem CID: 137079735
• Molecular Formula: C30H30N6O7
• Molecular Weight: 586.61 g/mol
• Exact Mass: 586.22
• IUPAC Name: ethyl (4R)-4-[4-[2-[(2Z)-2-[(2-hydroxy-5-phenyldiazenylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
• SMILES: CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(/N=N/c3ccccc3)ccc2O)c(OC)c1
• InChI: InChI=1S/C30H30N6O7/c1-4-42-29(39)27-18(2)32-30(40)33-28(27)19-10-13-24(25(15-19)41-3)43-17-26(38)36-31-16-20-14-22(11-12-23(20)37)35-34-21-8-6-5-7-9-21/h5-16,28,37H,4,17H2,1-3H3,(H,36,38)(H2,32,33,40)/b31-16-,35-34+/t28-/m1/s1
• InChIKey: VLNCSMTWBBFFDQ-MKFKQTBZSA-N
• XLogP: 4.54
• TPSA: 172.30 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	586.61
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-4-[4-[2-[(2Z)-2-[(2-hydroxy-5-phenyldiazenylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The IUPAC name of ethyl (4R)-4-[4-[2-[(2Z)-2-[(2-hydroxy-5-phenyldiazenylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 137079735) is ethyl (4R)-4-[4-[2-[(2Z)-2-[(2-hydroxy-5-phenyldiazenylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

What is the SMILES notation for ethyl (4R)-4-[4-[2-[(2Z)-2-[(2-hydroxy-5-phenyldiazenylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The canonical SMILES for ethyl (4R)-4-[4-[2-[(2Z)-2-[(2-hydroxy-5-phenyldiazenylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OCC(=O)N/N=C\c2cc(/N=N/c3ccccc3)ccc2O)c(OC)c1.

What is the InChIKey of ethyl (4R)-4-[4-[2-[(2Z)-2-[(2-hydroxy-5-phenyldiazenylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The InChIKey is VLNCSMTWBBFFDQ-MKFKQTBZSA-N. The full InChI is InChI=1S/C30H30N6O7/c1-4-42-29(39)27-18(2)32-30(40)33-28(27)19-10-13-24(25(15-19)41-3)43-17-26(38)36-31-16-20-14-22(11-12-23(20)37)35-34-21-8-6-5-7-9-21/h5-16,28,37H,4,17H2,1-3H3,(H,36,38)(H2,32,33,40)/b31-16-,35-34+/t28-/m1/s1.

What are the key properties of ethyl (4R)-4-[4-[2-[(2Z)-2-[(2-hydroxy-5-phenyldiazenylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?

ethyl (4R)-4-[4-[2-[(2Z)-2-[(2-hydroxy-5-phenyldiazenylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 586.61 g/mol, XLogP of 4.54, 11 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (4R)-4-[4-[2-[(2Z)-2-[(2-hydroxy-5-phenyldiazenylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 137079735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).