3-(4-bromo-2-methyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione

C10H10BrN3O3 — CID 142364678

IUPAC3-(4-bromo-2-methyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione
SMILESCc1nc(Br)cc(=O)n1C1CCC(=O)NC1=O
InChIInChI=1S/C10H10BrN3O3/c1-5-12-7(11)4-9(16)14(5)6-2-3-8(15)13-10(6)17/h4,6H,2-3H2,1H3,(H,13,15,17)
InChIKeyDHHXRRYACZZBDV-UHFFFAOYSA-N
MW300.11 g/mol
LogP0.29
Rot. Bonds1

About 3-(4-bromo-2-methyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione

3-(4-bromo-2-methyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione (PubChem CID 142364678) has the molecular formula C10H10BrN3O3 and a molecular weight of 300.11 g/mol. Its IUPAC name is 3-(4-bromo-2-methyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(4-bromo-2-methyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione
PubChem CID142364678
Molecular FormulaC10H10BrN3O3
Molecular Weight300.11 g/mol
Exact Mass298.99
IUPAC Name3-(4-bromo-2-methyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione
SMILESCc1nc(Br)cc(=O)n1C1CCC(=O)NC1=O
InChIInChI=1S/C10H10BrN3O3/c1-5-12-7(11)4-9(16)14(5)6-2-3-8(15)13-10(6)17/h4,6H,2-3H2,1H3,(H,13,15,17)
InChIKeyDHHXRRYACZZBDV-UHFFFAOYSA-N
XLogP0.29
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.11
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-Fluoro-6-oxopyrimidin-1-yl)piperidine-2,6-dione
CID 155219511
3-(2,4-Dimethyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione
CID 134488797
3-(6-Oxopyrimidin-1-yl)piperidine-2,6-dione
CID 138467610
3-(4-Bromo-6-oxopyrimidin-1-yl)piperidine-2,6-dione
CID 142367462
3-(4-Iodo-2-methyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione
CID 142385861
3-(4-Bromo-6-methylidenepyrimidin-1-yl)piperidine-2,6-dione
CID 152815826
2-methyl-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956538
2-methyl-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956638
2-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956745
3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]piperidine-2,6-dione
CID 136976205
3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
CID 136976210
1-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]piperidine-2,6-dione
CID 136976211

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-methyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione?
The IUPAC name of 3-(4-bromo-2-methyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione (CID 142364678) is 3-(4-bromo-2-methyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(4-bromo-2-methyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(4-bromo-2-methyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione is Cc1nc(Br)cc(=O)n1C1CCC(=O)NC1=O.
What is the InChIKey of 3-(4-bromo-2-methyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione?
The InChIKey is DHHXRRYACZZBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O3/c1-5-12-7(11)4-9(16)14(5)6-2-3-8(15)13-10(6)17/h4,6H,2-3H2,1H3,(H,13,15,17).
What are the key properties of 3-(4-bromo-2-methyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione?
3-(4-bromo-2-methyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione has a molecular weight of 300.11 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-methyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 142364678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).