6-chloro-5-methoxy-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one

C10H12ClN3O3 — CID 114585156

IUPAC6-chloro-5-methoxy-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one
SMILESCOc1c(Cl)ncn(C2CCN(C)C2=O)c1=O
InChIInChI=1S/C10H12ClN3O3/c1-13-4-3-6(9(13)15)14-5-12-8(11)7(17-2)10(14)16/h5-6H,3-4H2,1-2H3
InChIKeyRJSVSEKFAAKFEX-UHFFFAOYSA-N
MW257.68 g/mol
LogP0.31
Rot. Bonds2

About 6-chloro-5-methoxy-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one

6-chloro-5-methoxy-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one (PubChem CID 114585156) has the molecular formula C10H12ClN3O3 and a molecular weight of 257.68 g/mol. Its IUPAC name is 6-chloro-5-methoxy-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-5-methoxy-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one
PubChem CID114585156
Molecular FormulaC10H12ClN3O3
Molecular Weight257.68 g/mol
Exact Mass257.06
IUPAC Name6-chloro-5-methoxy-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one
SMILESCOc1c(Cl)ncn(C2CCN(C)C2=O)c1=O
InChIInChI=1S/C10H12ClN3O3/c1-13-4-3-6(9(13)15)14-5-12-8(11)7(17-2)10(14)16/h5-6H,3-4H2,1-2H3
InChIKeyRJSVSEKFAAKFEX-UHFFFAOYSA-N
XLogP0.31
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-chloro-5-methoxy-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methoxy-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one?
The IUPAC name of 6-chloro-5-methoxy-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one (CID 114585156) is 6-chloro-5-methoxy-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-5-methoxy-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-5-methoxy-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one is COc1c(Cl)ncn(C2CCN(C)C2=O)c1=O.
What is the InChIKey of 6-chloro-5-methoxy-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one?
The InChIKey is RJSVSEKFAAKFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O3/c1-13-4-3-6(9(13)15)14-5-12-8(11)7(17-2)10(14)16/h5-6H,3-4H2,1-2H3.
What are the key properties of 6-chloro-5-methoxy-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one?
6-chloro-5-methoxy-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one has a molecular weight of 257.68 g/mol, XLogP of 0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methoxy-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one is sourced from PubChem (CID 114585156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).