1-(3,4-dichlorophenyl)-3-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]pyrrolidin-2-one

C17H18Cl2N4O2 — CID 133439004

IUPAC1-(3,4-dichlorophenyl)-3-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]pyrrolidin-2-one
SMILESCOCc1nc(C)cc(NC2CCN(c3ccc(Cl)c(Cl)c3)C2=O)n1
InChIInChI=1S/C17H18Cl2N4O2/c1-10-7-15(22-16(20-10)9-25-2)21-14-5-6-23(17(14)24)11-3-4-12(18)13(19)8-11/h3-4,7-8,14H,5-6,9H2,1-2H3,(H,20,21,22)
InChIKeyPGLDSBUUTKPRMI-UHFFFAOYSA-N
MW381.26 g/mol
LogP3.46
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-3-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]pyrrolidin-2-one

1-(3,4-dichlorophenyl)-3-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]pyrrolidin-2-one (PubChem CID 133439004) has the molecular formula C17H18Cl2N4O2 and a molecular weight of 381.26 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]pyrrolidin-2-one
PubChem CID133439004
Molecular FormulaC17H18Cl2N4O2
Molecular Weight381.26 g/mol
Exact Mass380.08
IUPAC Name1-(3,4-dichlorophenyl)-3-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]pyrrolidin-2-one
SMILESCOCc1nc(C)cc(NC2CCN(c3ccc(Cl)c(Cl)c3)C2=O)n1
InChIInChI=1S/C17H18Cl2N4O2/c1-10-7-15(22-16(20-10)9-25-2)21-14-5-6-23(17(14)24)11-3-4-12(18)13(19)8-11/h3-4,7-8,14H,5-6,9H2,1-2H3,(H,20,21,22)
InChIKeyPGLDSBUUTKPRMI-UHFFFAOYSA-N
XLogP3.46
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dichlorophenyl)-3-(methylamino)pyrrolidin-2-one
CID 54353900
1-(3,4-dichlorophenyl)-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
CID 133439003
1-(4-chloro-3-fluorophenyl)-3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 133462212
1-(4-chloro-3-methoxyphenyl)-3-(cyclopropylamino)pyrrolidin-2-one
CID 107623351
1-(3,4-dichlorophenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one
CID 133438994
6-[[1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]amino]pyridine-3-carbonitrile
CID 133439006
1-(3-chlorophenyl)-3-[(6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 133338455
1-[4-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-2,5-dione
CID 133417652
2-[[1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]amino]-7-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133439043
3-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one
CID 133402560
3-[(6-ethoxypyrimidin-4-yl)amino]-1-(4-methylphenyl)pyrrolidin-2-one
CID 133484160
1-(3,4-dichlorophenyl)-3-(3-methylsulfonyl-4-nitroanilino)pyrrolidin-2-one
CID 133439012

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]pyrrolidin-2-one?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]pyrrolidin-2-one (CID 133439004) is 1-(3,4-dichlorophenyl)-3-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]pyrrolidin-2-one.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]pyrrolidin-2-one?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]pyrrolidin-2-one is COCc1nc(C)cc(NC2CCN(c3ccc(Cl)c(Cl)c3)C2=O)n1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]pyrrolidin-2-one?
The InChIKey is PGLDSBUUTKPRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O2/c1-10-7-15(22-16(20-10)9-25-2)21-14-5-6-23(17(14)24)11-3-4-12(18)13(19)8-11/h3-4,7-8,14H,5-6,9H2,1-2H3,(H,20,21,22).
What are the key properties of 1-(3,4-dichlorophenyl)-3-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]pyrrolidin-2-one?
1-(3,4-dichlorophenyl)-3-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]pyrrolidin-2-one has a molecular weight of 381.26 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-[[2-(methoxymethyl)-6-methylpyrimidin-4-yl]amino]pyrrolidin-2-one is sourced from PubChem (CID 133439004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).