methyl 4-[4-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]-6-butyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

C25H29N3O6 — CID 110847198

IUPACmethyl 4-[4-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]-6-butyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCCCC1=C(C(=O)OC)C(c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)NC(=O)N1
InChIInChI=1S/C25H29N3O6/c1-4-5-11-18-22(24(30)33-3)23(28-25(31)27-18)16-12-13-19(20(14-16)32-2)34-15-21(29)26-17-9-7-6-8-10-17/h6-10,12-14,23H,4-5,11,15H2,1-3H3,(H,26,29)(H2,27,28,31)
InChIKeyUZVOYBJQZSDVBF-UHFFFAOYSA-N
MW467.52 g/mol
LogP3.68
Rot. Bonds10

About methyl 4-[4-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]-6-butyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

methyl 4-[4-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]-6-butyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 110847198) has the molecular formula C25H29N3O6 and a molecular weight of 467.52 g/mol. Its IUPAC name is methyl 4-[4-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]-6-butyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[4-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]-6-butyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID110847198
Molecular FormulaC25H29N3O6
Molecular Weight467.52 g/mol
Exact Mass467.21
IUPAC Namemethyl 4-[4-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]-6-butyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCCCC1=C(C(=O)OC)C(c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)NC(=O)N1
InChIInChI=1S/C25H29N3O6/c1-4-5-11-18-22(24(30)33-3)23(28-25(31)27-18)16-12-13-19(20(14-16)32-2)34-15-21(29)26-17-9-7-6-8-10-17/h6-10,12-14,23H,4-5,11,15H2,1-3H3,(H,26,29)(H2,27,28,31)
InChIKeyUZVOYBJQZSDVBF-UHFFFAOYSA-N
XLogP3.68
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze methyl 4-[4-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]-6-butyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 6-butyl-4-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110847448
propyl 4-[4-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110847184
methyl 4-(3-methoxy-4-nonoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110846867
methyl 6-butyl-4-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110846284
methyl 6-ethyl-4-(3-methoxy-4-nonoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110846861
methyl 6-butyl-4-(4-hydroxy-3,5-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110843299
methyl 4-(4-benzoyloxy-3-methoxyphenyl)-6-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110846253
methyl 6-butyl-4-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110847266
methyl 6-butyl-4-(3-chloro-4-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110843331
ethyl 6-butyl-4-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110844236
methyl 4-(3-ethoxy-4-phenylmethoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110846296
methyl 6-butyl-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110844427

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]-6-butyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of methyl 4-[4-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]-6-butyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 110847198) is methyl 4-[4-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]-6-butyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-[4-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]-6-butyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-[4-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]-6-butyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCCCC1=C(C(=O)OC)C(c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)NC(=O)N1.
What is the InChIKey of methyl 4-[4-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]-6-butyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is UZVOYBJQZSDVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O6/c1-4-5-11-18-22(24(30)33-3)23(28-25(31)27-18)16-12-13-19(20(14-16)32-2)34-15-21(29)26-17-9-7-6-8-10-17/h6-10,12-14,23H,4-5,11,15H2,1-3H3,(H,26,29)(H2,27,28,31).
What are the key properties of methyl 4-[4-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]-6-butyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
methyl 4-[4-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]-6-butyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 467.52 g/mol, XLogP of 3.68, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]-6-butyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 110847198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).