1,2-dichloro-4-methoxybenzene;methyl 4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrimidine-2-carboxylate

C20H24Cl2N4O4 — CID 156723578

IUPAC1,2-dichloro-4-methoxybenzene;methyl 4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nccc(N(C)CC(=O)N2CCCC2)n1.COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H18N4O3.C7H6Cl2O/c1-16(9-11(18)17-7-3-4-8-17)10-5-6-14-12(15-10)13(19)20-2;1-10-5-2-3-6(8)7(9)4-5/h5-6H,3-4,7-9H2,1-2H3;2-4H,1H3
InChIKeyZGTPPLRJSZOTAE-UHFFFAOYSA-N
MW455.34 g/mol
LogP3.32
Rot. Bonds5

About 1,2-dichloro-4-methoxybenzene;methyl 4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrimidine-2-carboxylate

1,2-dichloro-4-methoxybenzene;methyl 4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrimidine-2-carboxylate (PubChem CID 156723578) has the molecular formula C20H24Cl2N4O4 and a molecular weight of 455.34 g/mol. Its IUPAC name is 1,2-dichloro-4-methoxybenzene;methyl 4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrimidine-2-carboxylate.

Molecular Properties

Compound Name1,2-dichloro-4-methoxybenzene;methyl 4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrimidine-2-carboxylate
PubChem CID156723578
Molecular FormulaC20H24Cl2N4O4
Molecular Weight455.34 g/mol
Exact Mass454.12
IUPAC Name1,2-dichloro-4-methoxybenzene;methyl 4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nccc(N(C)CC(=O)N2CCCC2)n1.COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H18N4O3.C7H6Cl2O/c1-16(9-11(18)17-7-3-4-8-17)10-5-6-14-12(15-10)13(19)20-2;1-10-5-2-3-6(8)7(9)4-5/h5-6H,3-4,7-9H2,1-2H3;2-4H,1H3
InChIKeyZGTPPLRJSZOTAE-UHFFFAOYSA-N
XLogP3.32
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.34
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1,2-dichloro-4-methoxybenzene;methyl 4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrimidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dichlorophenol;2-[[4-(hydroxymethyl)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone
CID 156723768
2-(3,4-dichlorophenoxy)-1-pyrrolidin-1-ylethanone
CID 2995974
methyl 6-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrazine-2-carboxylate
CID 66457852
2-[(6-chloro-2-ethylpyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 80936172
methyl 4-[(3-ethoxy-3-oxopropyl)-methylamino]pyrimidine-2-carboxylate
CID 66287348
1,2-dichloro-4-methoxybenzene;3-piperazin-1-yl-1-pyrrolidin-1-ylbutan-1-one
CID 156723659
2-(4-methoxy-N-methylanilino)-1-piperazin-1-ylethanone
CID 55211427
2-[methyl-[6-(propylamino)pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylethanone
CID 80799613
2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone
CID 102756695
(2-chloro-5-methoxyphenyl)-piperidin-1-ylmethanone
CID 164894070
2-[(4-methoxypyrimidin-2-yl)-methylamino]-1-piperazin-1-ylethanone
CID 54904291
2-[ethyl-(2-methoxycarbonylpyrimidin-4-yl)amino]acetic acid
CID 66287387

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-methoxybenzene;methyl 4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrimidine-2-carboxylate?
The IUPAC name of 1,2-dichloro-4-methoxybenzene;methyl 4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrimidine-2-carboxylate (CID 156723578) is 1,2-dichloro-4-methoxybenzene;methyl 4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrimidine-2-carboxylate.
What is the SMILES notation for 1,2-dichloro-4-methoxybenzene;methyl 4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrimidine-2-carboxylate?
The canonical SMILES for 1,2-dichloro-4-methoxybenzene;methyl 4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrimidine-2-carboxylate is COC(=O)c1nccc(N(C)CC(=O)N2CCCC2)n1.COc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1,2-dichloro-4-methoxybenzene;methyl 4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrimidine-2-carboxylate?
The InChIKey is ZGTPPLRJSZOTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3.C7H6Cl2O/c1-16(9-11(18)17-7-3-4-8-17)10-5-6-14-12(15-10)13(19)20-2;1-10-5-2-3-6(8)7(9)4-5/h5-6H,3-4,7-9H2,1-2H3;2-4H,1H3.
What are the key properties of 1,2-dichloro-4-methoxybenzene;methyl 4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrimidine-2-carboxylate?
1,2-dichloro-4-methoxybenzene;methyl 4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrimidine-2-carboxylate has a molecular weight of 455.34 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-methoxybenzene;methyl 4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrimidine-2-carboxylate is sourced from PubChem (CID 156723578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).