9-[(4-methylphenoxy)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one

C20H21N3O3 — CID 122179701

IUPAC9-[(4-methylphenoxy)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc(OCc2cccn3c(=O)cc(N4CCOCC4)nc23)cc1
InChIInChI=1S/C20H21N3O3/c1-15-4-6-17(7-5-15)26-14-16-3-2-8-23-19(24)13-18(21-20(16)23)22-9-11-25-12-10-22/h2-8,13H,9-12,14H2,1H3
InChIKeyDIADOXZLFMRHTN-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.42
Rot. Bonds4

About 9-[(4-methylphenoxy)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one

9-[(4-methylphenoxy)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 122179701) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 9-[(4-methylphenoxy)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-[(4-methylphenoxy)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID122179701
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name9-[(4-methylphenoxy)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc(OCc2cccn3c(=O)cc(N4CCOCC4)nc23)cc1
InChIInChI=1S/C20H21N3O3/c1-15-4-6-17(7-5-15)26-14-16-3-2-8-23-19(24)13-18(21-20(16)23)22-9-11-25-12-10-22/h2-8,13H,9-12,14H2,1H3
InChIKeyDIADOXZLFMRHTN-UHFFFAOYSA-N
XLogP2.42
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[(4-methylphenoxy)methyl]-2-morpholin-4-ylpyrido[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

Frequently Asked Questions

What is the IUPAC name of 9-[(4-methylphenoxy)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-[(4-methylphenoxy)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (CID 122179701) is 9-[(4-methylphenoxy)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-[(4-methylphenoxy)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-[(4-methylphenoxy)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc(OCc2cccn3c(=O)cc(N4CCOCC4)nc23)cc1.
What is the InChIKey of 9-[(4-methylphenoxy)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is DIADOXZLFMRHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-15-4-6-17(7-5-15)26-14-16-3-2-8-23-19(24)13-18(21-20(16)23)22-9-11-25-12-10-22/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 9-[(4-methylphenoxy)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
9-[(4-methylphenoxy)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 351.41 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-methylphenoxy)methyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 122179701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).