5-bromo-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propyl-1H-pyrimidin-6-one

C15H22BrN3O — CID 136995919

IUPAC5-bromo-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1nc(C2CC3CCC(C2)N3C)[nH]c(=O)c1Br
InChIInChI=1S/C15H22BrN3O/c1-3-4-12-13(16)15(20)18-14(17-12)9-7-10-5-6-11(8-9)19(10)2/h9-11H,3-8H2,1-2H3,(H,17,18,20)
InChIKeyOXQKKTNHMUOTHC-UHFFFAOYSA-N
MW340.27 g/mol
LogP2.83
Rot. Bonds3

About 5-bromo-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propyl-1H-pyrimidin-6-one

5-bromo-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propyl-1H-pyrimidin-6-one (PubChem CID 136995919) has the molecular formula C15H22BrN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is 5-bromo-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propyl-1H-pyrimidin-6-one
PubChem CID136995919
Molecular FormulaC15H22BrN3O
Molecular Weight340.27 g/mol
Exact Mass339.09
IUPAC Name5-bromo-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1nc(C2CC3CCC(C2)N3C)[nH]c(=O)c1Br
InChIInChI=1S/C15H22BrN3O/c1-3-4-12-13(16)15(20)18-14(17-12)9-7-10-5-6-11(8-9)19(10)2/h9-11H,3-8H2,1-2H3,(H,17,18,20)
InChIKeyOXQKKTNHMUOTHC-UHFFFAOYSA-N
XLogP2.83
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propyl-1H-pyrimidin-6-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

5-fluoro-4-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one
CID 136923775
5-bromo-4-hydroxy-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one
CID 112680562
5-bromo-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one
CID 112680567
5-bromo-2-cycloheptyl-4-ethyl-1H-pyrimidin-6-one
CID 136225850
5-bromo-2-cycloheptyl-4-propan-2-yl-1H-pyrimidin-6-one
CID 136226031
5-bromo-2-cycloheptyl-4-propyl-1H-pyrimidin-6-one
CID 136256546
5-bromo-4-tert-butyl-2-cycloheptyl-1H-pyrimidin-6-one
CID 136256569
5-bromo-2-cycloheptyl-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136298501
4-cyclopentyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one
CID 136729440
5-bromo-4-cyclopentyl-2-(1,4-dimethylpiperazin-2-yl)-1H-pyrimidin-6-one
CID 136729615
5-bromo-4-cyclopentyl-2-[2-(dimethylamino)ethyl]-1H-pyrimidin-6-one
CID 136729637
5-bromo-2-cycloheptyl-4-cyclopentyl-1H-pyrimidin-6-one
CID 136729684

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propyl-1H-pyrimidin-6-one (CID 136995919) is 5-bromo-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propyl-1H-pyrimidin-6-one is CCCc1nc(C2CC3CCC(C2)N3C)[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propyl-1H-pyrimidin-6-one?
The InChIKey is OXQKKTNHMUOTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-3-4-12-13(16)15(20)18-14(17-12)9-7-10-5-6-11(8-9)19(10)2/h9-11H,3-8H2,1-2H3,(H,17,18,20).
What are the key properties of 5-bromo-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propyl-1H-pyrimidin-6-one?
5-bromo-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propyl-1H-pyrimidin-6-one has a molecular weight of 340.27 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136995919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).