6-chloro-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one

C10H12ClN3O3 — CID 114582194

IUPAC6-chloro-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one
SMILESO=C(Cn1cnc(Cl)cc1=O)N1CCOCC1
InChIInChI=1S/C10H12ClN3O3/c11-8-5-9(15)14(7-12-8)6-10(16)13-1-3-17-4-2-13/h5,7H,1-4,6H2
InChIKeyLOABYALHDGAATL-UHFFFAOYSA-N
MW257.68 g/mol
LogP-0.24
Rot. Bonds2

About 6-chloro-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one

6-chloro-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one (PubChem CID 114582194) has the molecular formula C10H12ClN3O3 and a molecular weight of 257.68 g/mol. Its IUPAC name is 6-chloro-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one
PubChem CID114582194
Molecular FormulaC10H12ClN3O3
Molecular Weight257.68 g/mol
Exact Mass257.06
IUPAC Name6-chloro-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one
SMILESO=C(Cn1cnc(Cl)cc1=O)N1CCOCC1
InChIInChI=1S/C10H12ClN3O3/c11-8-5-9(15)14(7-12-8)6-10(16)13-1-3-17-4-2-13/h5,7H,1-4,6H2
InChIKeyLOABYALHDGAATL-UHFFFAOYSA-N
XLogP-0.24
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 ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-chloro-3-(2-morpholin-4-yl-2-oxoethyl)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-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one (CID 114582194) is 6-chloro-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one is O=C(Cn1cnc(Cl)cc1=O)N1CCOCC1.
What is the InChIKey of 6-chloro-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one?
The InChIKey is LOABYALHDGAATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O3/c11-8-5-9(15)14(7-12-8)6-10(16)13-1-3-17-4-2-13/h5,7H,1-4,6H2.
What are the key properties of 6-chloro-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one?
6-chloro-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one has a molecular weight of 257.68 g/mol, XLogP of -0.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one is sourced from PubChem (CID 114582194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).