methyl 4-[4-[2-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

C25H29N5O6 — CID 4140338

About methyl 4-[4-[2-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

methyl 4-[4-[2-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 4140338) has the molecular formula C25H29N5O6 and a molecular weight of 495.54 g/mol. Its IUPAC name is methyl 4-[4-[2-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

• Compound Name: methyl 4-[4-[2-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
• PubChem CID: 4140338
• Molecular Formula: C25H29N5O6
• Molecular Weight: 495.54 g/mol
• Exact Mass: 495.21
• IUPAC Name: methyl 4-[4-[2-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
• SMILES: COC(=O)C1=C(C)NC(=O)NC1c1ccc(OCC(=O)NN=Cc2ccc(N(C)C)cc2)c(OC)c1
• InChI: InChI=1S/C25H29N5O6/c1-15-22(24(32)35-5)23(28-25(33)27-15)17-8-11-19(20(12-17)34-4)36-14-21(31)29-26-13-16-6-9-18(10-7-16)30(2)3/h6-13,23H,14H2,1-5H3,(H,29,31)(H2,27,28,33)
• InChIKey: UKZXEUGCHKGPDF-UHFFFAOYSA-N
• XLogP: 2.09
• TPSA: 130.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.54
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'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 methyl 4-[4-[2-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The IUPAC name of methyl 4-[4-[2-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 4140338) is methyl 4-[4-[2-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

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

The canonical SMILES for methyl 4-[4-[2-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is COC(=O)C1=C(C)NC(=O)NC1c1ccc(OCC(=O)NN=Cc2ccc(N(C)C)cc2)c(OC)c1.

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

The InChIKey is UKZXEUGCHKGPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O6/c1-15-22(24(32)35-5)23(28-25(33)27-15)17-8-11-19(20(12-17)34-4)36-14-21(31)29-26-13-16-6-9-18(10-7-16)30(2)3/h6-13,23H,14H2,1-5H3,(H,29,31)(H2,27,28,33).

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

methyl 4-[4-[2-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 495.54 g/mol, XLogP of 2.09, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 4-[4-[2-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 4140338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).