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

C26H31N3O6 — CID 110847448

IUPACmethyl 6-butyl-4-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCCCC1=C(C(=O)OC)C(c2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)NC(=O)N1
InChIInChI=1S/C26H31N3O6/c1-5-6-7-19-23(25(31)34-4)24(29-26(32)28-19)17-10-13-20(21(14-17)33-3)35-15-22(30)27-18-11-8-16(2)9-12-18/h8-14,24H,5-7,15H2,1-4H3,(H,27,30)(H2,28,29,32)
InChIKeyRGQDIWKRDZGOJM-UHFFFAOYSA-N
MW481.55 g/mol
LogP3.99
Rot. Bonds10

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

methyl 6-butyl-4-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 110847448) has the molecular formula C26H31N3O6 and a molecular weight of 481.55 g/mol. Its IUPAC name is methyl 6-butyl-4-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-butyl-4-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID110847448
Molecular FormulaC26H31N3O6
Molecular Weight481.55 g/mol
Exact Mass481.22
IUPAC Namemethyl 6-butyl-4-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCCCC1=C(C(=O)OC)C(c2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)NC(=O)N1
InChIInChI=1S/C26H31N3O6/c1-5-6-7-19-23(25(31)34-4)24(29-26(32)28-19)17-10-13-20(21(14-17)33-3)35-15-22(30)27-18-11-8-16(2)9-12-18/h8-14,24H,5-7,15H2,1-4H3,(H,27,30)(H2,28,29,32)
InChIKeyRGQDIWKRDZGOJM-UHFFFAOYSA-N
XLogP3.99
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

methyl 4-[4-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]-6-butyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110847198
methyl 6-butyl-4-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110846284
methyl 4-(3-methoxy-4-nonoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110846867
propan-2-yl 6-butyl-4-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110846282
ethyl 6-butyl-4-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110846322
propyl 4-[4-(2-anilino-2-oxoethoxy)-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110847184
methyl 6-ethyl-4-(3-methoxy-4-nonoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110846861
ethyl 6-butyl-4-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110844236
methyl 6-butyl-4-(4-hydroxy-3,5-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110843299
methyl 6-butyl-4-(3-chloro-4-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110843331
methyl 6-butyl-4-[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110847266
ethyl 4-(3-ethoxy-4-methoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110843200

Frequently Asked Questions

What is the IUPAC name of methyl 6-butyl-4-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of methyl 6-butyl-4-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 110847448) is methyl 6-butyl-4-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 6-butyl-4-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for methyl 6-butyl-4-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCCCC1=C(C(=O)OC)C(c2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)NC(=O)N1.
What is the InChIKey of methyl 6-butyl-4-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is RGQDIWKRDZGOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O6/c1-5-6-7-19-23(25(31)34-4)24(29-26(32)28-19)17-10-13-20(21(14-17)33-3)35-15-22(30)27-18-11-8-16(2)9-12-18/h8-14,24H,5-7,15H2,1-4H3,(H,27,30)(H2,28,29,32).
What are the key properties of methyl 6-butyl-4-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
methyl 6-butyl-4-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 481.55 g/mol, XLogP of 3.99, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-butyl-4-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 110847448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).