methyl 1-(2,5-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate

C10H9Cl2N3O3 — CID 168694945

IUPACmethyl 1-(2,5-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2nc(Cl)ncc2Cl)C1
InChIInChI=1S/C10H9Cl2N3O3/c1-18-9(17)5-2-7(16)15(4-5)8-6(11)3-13-10(12)14-8/h3,5H,2,4H2,1H3
InChIKeyPRSZPNUOZPLGPU-UHFFFAOYSA-N
MW290.11 g/mol
LogP1.31
Rot. Bonds2

About methyl 1-(2,5-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate

methyl 1-(2,5-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 168694945) has the molecular formula C10H9Cl2N3O3 and a molecular weight of 290.11 g/mol. Its IUPAC name is methyl 1-(2,5-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2,5-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate
PubChem CID168694945
Molecular FormulaC10H9Cl2N3O3
Molecular Weight290.11 g/mol
Exact Mass289.00
IUPAC Namemethyl 1-(2,5-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2nc(Cl)ncc2Cl)C1
InChIInChI=1S/C10H9Cl2N3O3/c1-18-9(17)5-2-7(16)15(4-5)8-6(11)3-13-10(12)14-8/h3,5H,2,4H2,1H3
InChIKeyPRSZPNUOZPLGPU-UHFFFAOYSA-N
XLogP1.31
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.11
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(4,6-dichloro-1,3,5-triazin-2-yl)-5-oxopyrrolidine-3-carboxylate
CID 168695406
methyl 1-(5-bromo-6-chloropyrazin-2-yl)-5-oxopyrrolidine-3-carboxylate
CID 168694974
methyl 1-(3-bromo-5-chloro-2-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168694987
4-amino-1-(2,5-dichloropyrimidin-4-yl)pyrrolidin-2-one
CID 168700844
methyl 1-(5-aminopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate
CID 168695356
6-chloro-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 168694941
1-(2,5-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712631
methyl 1-(4-bromo-3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 168694777
methyl (3S)-1-[4-[(4R)-4-methoxycarbonyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 94076246
methyl (3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 758329
methyl 1-(2-amino-4,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 168694490
methyl 1-(2-chloro-6-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168693793

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2,5-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(2,5-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate (CID 168694945) is methyl 1-(2,5-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(2,5-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(2,5-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate is COC(=O)C1CC(=O)N(c2nc(Cl)ncc2Cl)C1.
What is the InChIKey of methyl 1-(2,5-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is PRSZPNUOZPLGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3O3/c1-18-9(17)5-2-7(16)15(4-5)8-6(11)3-13-10(12)14-8/h3,5H,2,4H2,1H3.
What are the key properties of methyl 1-(2,5-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate?
methyl 1-(2,5-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 290.11 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2,5-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 168694945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).