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

C10H10BrN3O2 — CID 152815826

IUPAC3-(4-bromo-6-methylidenepyrimidin-1-yl)piperidine-2,6-dione
SMILESC=C1C=C(Br)N=CN1C1CCC(=O)NC1=O
InChIInChI=1S/C10H10BrN3O2/c1-6-4-8(11)12-5-14(6)7-2-3-9(15)13-10(7)16/h4-5,7H,1-3H2,(H,13,15,16)
InChIKeySSIVEPIMHJNPBG-UHFFFAOYSA-N
MW284.11 g/mol
LogP0.89
Rot. Bonds1

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

3-(4-bromo-6-methylidenepyrimidin-1-yl)piperidine-2,6-dione (PubChem CID 152815826) has the molecular formula C10H10BrN3O2 and a molecular weight of 284.11 g/mol. Its IUPAC name is 3-(4-bromo-6-methylidenepyrimidin-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(4-bromo-6-methylidenepyrimidin-1-yl)piperidine-2,6-dione
PubChem CID152815826
Molecular FormulaC10H10BrN3O2
Molecular Weight284.11 g/mol
Exact Mass283.00
IUPAC Name3-(4-bromo-6-methylidenepyrimidin-1-yl)piperidine-2,6-dione
SMILESC=C1C=C(Br)N=CN1C1CCC(=O)NC1=O
InChIInChI=1S/C10H10BrN3O2/c1-6-4-8(11)12-5-14(6)7-2-3-9(15)13-10(7)16/h4-5,7H,1-3H2,(H,13,15,16)
InChIKeySSIVEPIMHJNPBG-UHFFFAOYSA-N
XLogP0.89
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'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-(6-Oxopyrimidin-1-yl)piperidine-2,6-dione
CID 138467610
3-(4-Bromo-2-methyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione
CID 142364678
3-(4-Bromo-6-oxopyrimidin-1-yl)piperidine-2,6-dione
CID 142367462
3-(4-Methyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione
CID 160093257

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-6-methylidenepyrimidin-1-yl)piperidine-2,6-dione?
The IUPAC name of 3-(4-bromo-6-methylidenepyrimidin-1-yl)piperidine-2,6-dione (CID 152815826) is 3-(4-bromo-6-methylidenepyrimidin-1-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(4-bromo-6-methylidenepyrimidin-1-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(4-bromo-6-methylidenepyrimidin-1-yl)piperidine-2,6-dione is C=C1C=C(Br)N=CN1C1CCC(=O)NC1=O.
What is the InChIKey of 3-(4-bromo-6-methylidenepyrimidin-1-yl)piperidine-2,6-dione?
The InChIKey is SSIVEPIMHJNPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2/c1-6-4-8(11)12-5-14(6)7-2-3-9(15)13-10(7)16/h4-5,7H,1-3H2,(H,13,15,16).
What are the key properties of 3-(4-bromo-6-methylidenepyrimidin-1-yl)piperidine-2,6-dione?
3-(4-bromo-6-methylidenepyrimidin-1-yl)piperidine-2,6-dione has a molecular weight of 284.11 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-6-methylidenepyrimidin-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 152815826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).