2-[(3,5-dichlorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one

C15H10Cl2N2O2 — CID 51293842

IUPAC2-[(3,5-dichlorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(COc2cc(Cl)cc(Cl)c2)nc2ccccn12
InChIInChI=1S/C15H10Cl2N2O2/c16-10-5-11(17)7-13(6-10)21-9-12-8-15(20)19-4-2-1-3-14(19)18-12/h1-8H,9H2
InChIKeyOHKMHNGHRDYCML-UHFFFAOYSA-N
MW321.16 g/mol
LogP3.58
Rot. Bonds3

About 2-[(3,5-dichlorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one

2-[(3,5-dichlorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 51293842) has the molecular formula C15H10Cl2N2O2 and a molecular weight of 321.16 g/mol. Its IUPAC name is 2-[(3,5-dichlorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(3,5-dichlorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID51293842
Molecular FormulaC15H10Cl2N2O2
Molecular Weight321.16 g/mol
Exact Mass320.01
IUPAC Name2-[(3,5-dichlorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(COc2cc(Cl)cc(Cl)c2)nc2ccccn12
InChIInChI=1S/C15H10Cl2N2O2/c16-10-5-11(17)7-13(6-10)21-9-12-8-15(20)19-4-2-1-3-14(19)18-12/h1-8H,9H2
InChIKeyOHKMHNGHRDYCML-UHFFFAOYSA-N
XLogP3.58
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(3,5-dichlorophenoxy)methyl]pyrido[1,2-a]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

Related Compounds

2-[(4-nitrophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 51210428
methyl 4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]benzoate
CID 51293876
N-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
CID 22580428
N-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
CID 46355928
1-(2-chlorophenyl)-3-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46355902
1-(3-chloro-4-methylphenyl)-3-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46355951
1-(2-chlorophenyl)-3-[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46355871
2-(4-chlorophenyl)sulfanyl-N-[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
CID 46355858
7-bromo-2-[(4-chlorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 2385146
2-[(4-chlorophenoxy)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 2363789
N-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-phenylpropanamide
CID 50802173
1-(2-methoxyphenyl)-3-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46355960

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichlorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(3,5-dichlorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 51293842) is 2-[(3,5-dichlorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(3,5-dichlorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(3,5-dichlorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(COc2cc(Cl)cc(Cl)c2)nc2ccccn12.
What is the InChIKey of 2-[(3,5-dichlorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is OHKMHNGHRDYCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O2/c16-10-5-11(17)7-13(6-10)21-9-12-8-15(20)19-4-2-1-3-14(19)18-12/h1-8H,9H2.
What are the key properties of 2-[(3,5-dichlorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[(3,5-dichlorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 321.16 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichlorophenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 51293842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).