5,6-dichloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one

C10H11Cl2N3O2 — CID 114582904

IUPAC5,6-dichloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one
SMILESO=C(Cn1cnc(Cl)c(Cl)c1=O)N1CCCC1
InChIInChI=1S/C10H11Cl2N3O2/c11-8-9(12)13-6-15(10(8)17)5-7(16)14-3-1-2-4-14/h6H,1-5H2
InChIKeyBPEZIQJBRCUTKU-UHFFFAOYSA-N
MW276.12 g/mol
LogP1.17
Rot. Bonds2

About 5,6-dichloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one

5,6-dichloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one (PubChem CID 114582904) has the molecular formula C10H11Cl2N3O2 and a molecular weight of 276.12 g/mol. Its IUPAC name is 5,6-dichloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one
PubChem CID114582904
Molecular FormulaC10H11Cl2N3O2
Molecular Weight276.12 g/mol
Exact Mass275.02
IUPAC Name5,6-dichloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one
SMILESO=C(Cn1cnc(Cl)c(Cl)c1=O)N1CCCC1
InChIInChI=1S/C10H11Cl2N3O2/c11-8-9(12)13-6-15(10(8)17)5-7(16)14-3-1-2-4-14/h6H,1-5H2
InChIKeyBPEZIQJBRCUTKU-UHFFFAOYSA-N
XLogP1.17
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
CID 113604308
N-cyclopropyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-ethylacetamide
CID 113604321
3-[2-(Azepan-1-yl)-2-oxoethyl]-5,6-dichloropyrimidin-4-one
CID 113604331
5,6-Dichloro-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 113604336
6-Chloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one
CID 114582035
6-Chloro-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one
CID 114582259
5-Amino-6-chloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one
CID 114582475
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 114582926
5,6-Dichloro-3-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-one
CID 114582935
5,6-Dichloro-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one
CID 114582939
5,6-Dichloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
CID 114582953
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
CID 114582966

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one (CID 114582904) is 5,6-dichloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one is O=C(Cn1cnc(Cl)c(Cl)c1=O)N1CCCC1.
What is the InChIKey of 5,6-dichloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The InChIKey is BPEZIQJBRCUTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N3O2/c11-8-9(12)13-6-15(10(8)17)5-7(16)14-3-1-2-4-14/h6H,1-5H2.
What are the key properties of 5,6-dichloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
5,6-dichloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one has a molecular weight of 276.12 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 114582904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).