9-(1-bromoethyl)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one

C15H18BrN3O2 — CID 164600769

IUPAC9-(1-bromoethyl)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(C(C)Br)c2nc(N3CCOCC3)cc(=O)n2c1
InChIInChI=1S/C15H18BrN3O2/c1-10-7-12(11(2)16)15-17-13(8-14(20)19(15)9-10)18-3-5-21-6-4-18/h7-9,11H,3-6H2,1-2H3
InChIKeyWSARASIPPPNNET-UHFFFAOYSA-N
MW352.23 g/mol
LogP2.30
Rot. Bonds2

About 9-(1-bromoethyl)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one

9-(1-bromoethyl)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 164600769) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 9-(1-bromoethyl)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-(1-bromoethyl)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID164600769
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name9-(1-bromoethyl)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(C(C)Br)c2nc(N3CCOCC3)cc(=O)n2c1
InChIInChI=1S/C15H18BrN3O2/c1-10-7-12(11(2)16)15-17-13(8-14(20)19(15)9-10)18-3-5-21-6-4-18/h7-9,11H,3-6H2,1-2H3
InChIKeyWSARASIPPPNNET-UHFFFAOYSA-N
XLogP2.30
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 9-(1-bromoethyl)-7-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

Related Compounds

7-methyl-9-[1-(3-methylanilino)ethyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 66839834
9-[(1S)-1-anilinoethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 51601994
9-ethenyl-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 164600757
9-(2,6-dimethylanilino)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 122179708
7-methyl-2-morpholin-4-yl-9-(2-pyridin-4-ylethenyl)pyrido[1,2-a]pyrimidin-4-one
CID 74066587
2-[1-[2-(azetidin-1-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-9-yl]ethylamino]benzoic acid
CID 170971605
ethyl 9-[1-(3,5-difluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate
CID 164600886
2-[methyl-[1-(7-methyl-4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid
CID 170971432
propan-2-yl 9-[(1R)-1-(3,5-difluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate
CID 164600831
methyl 9-[1-(3,4-difluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate
CID 164600713
7-methyl-2-morpholin-4-yl-9-(1-phenylpropan-2-yl)pyrido[1,2-a]pyrimidin-4-one;5-(2-morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine
CID 160933417
9-acetyl-2-(4,4-difluoropiperidin-1-yl)-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 169155290

Frequently Asked Questions

What is the IUPAC name of 9-(1-bromoethyl)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-(1-bromoethyl)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (CID 164600769) is 9-(1-bromoethyl)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-(1-bromoethyl)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-(1-bromoethyl)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is Cc1cc(C(C)Br)c2nc(N3CCOCC3)cc(=O)n2c1.
What is the InChIKey of 9-(1-bromoethyl)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is WSARASIPPPNNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-10-7-12(11(2)16)15-17-13(8-14(20)19(15)9-10)18-3-5-21-6-4-18/h7-9,11H,3-6H2,1-2H3.
What are the key properties of 9-(1-bromoethyl)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
9-(1-bromoethyl)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 352.23 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-bromoethyl)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 164600769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).