5-bromo-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one

C12H18BrN3O — CID 107913277

IUPAC5-bromo-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
SMILESCN1CCCCC1CCn1cncc(Br)c1=O
InChIInChI=1S/C12H18BrN3O/c1-15-6-3-2-4-10(15)5-7-16-9-14-8-11(13)12(16)17/h8-10H,2-7H2,1H3
InChIKeyQVLPZIOSIBJKEG-UHFFFAOYSA-N
MW300.20 g/mol
LogP1.88
Rot. Bonds3

About 5-bromo-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one

5-bromo-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one (PubChem CID 107913277) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 5-bromo-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
PubChem CID107913277
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name5-bromo-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one
SMILESCN1CCCCC1CCn1cncc(Br)c1=O
InChIInChI=1S/C12H18BrN3O/c1-15-6-3-2-4-10(15)5-7-16-9-14-8-11(13)12(16)17/h8-10H,2-7H2,1H3
InChIKeyQVLPZIOSIBJKEG-UHFFFAOYSA-N
XLogP1.88
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-bromo-3-[2-(1-methylpiperidin-2-yl)ethyl]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

7,8-dimethyl-3-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]quinazolin-4-one
CID 39830800
N-[(3-ethylimidazol-4-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
CID 66133644
5-bromo-3-pent-3-ynylpyrimidin-4-one
CID 104745910
2-[2-(2-ethylimidazol-1-yl)ethyl]-1-methylpiperidine
CID 107914179
3-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]pyrido[3,4-d]pyrimidin-4-one
CID 39817998
5-amino-1-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidine-2,4-dione
CID 107912148
N'-hydroxy-1-[2-(1-methylpiperidin-2-yl)ethyl]-2-oxopyridine-3-carboximidamide
CID 107913580
1-[2-(1-methylpiperidin-2-yl)ethyl]pyrazole-4-carboxylic acid
CID 107912883
5-bromo-3-[(1-methylpiperidin-2-yl)methyl]-1H-pyridazin-6-one
CID 117106161
5-bromo-3-[4-(tert-butylamino)butyl]pyrimidin-4-one
CID 66309586
[1-[2-(1-methylpiperidin-2-yl)ethyl]imidazol-4-yl]methanamine
CID 107913121
(2R)-2-[2-(4-ethylpyrazol-1-yl)ethyl]-1-methylpiperidine
CID 143916063

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one (CID 107913277) is 5-bromo-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one is CN1CCCCC1CCn1cncc(Br)c1=O.
What is the InChIKey of 5-bromo-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one?
The InChIKey is QVLPZIOSIBJKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-15-6-3-2-4-10(15)5-7-16-9-14-8-11(13)12(16)17/h8-10H,2-7H2,1H3.
What are the key properties of 5-bromo-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one?
5-bromo-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one has a molecular weight of 300.20 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidin-4-one is sourced from PubChem (CID 107913277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).