5-bromo-3-(3-bromo-2,2-dimethylpropyl)-2-methylpyrimidin-4-one

C10H14Br2N2O — CID 66309002

IUPAC5-bromo-3-(3-bromo-2,2-dimethylpropyl)-2-methylpyrimidin-4-one
SMILESCc1ncc(Br)c(=O)n1CC(C)(C)CBr
InChIInChI=1S/C10H14Br2N2O/c1-7-13-4-8(12)9(15)14(7)6-10(2,3)5-11/h4H,5-6H2,1-3H3
InChIKeyQQQIDYZLCPSXQP-UHFFFAOYSA-N
MW338.04 g/mol
LogP2.74
Rot. Bonds3

About 5-bromo-3-(3-bromo-2,2-dimethylpropyl)-2-methylpyrimidin-4-one

5-bromo-3-(3-bromo-2,2-dimethylpropyl)-2-methylpyrimidin-4-one (PubChem CID 66309002) has the molecular formula C10H14Br2N2O and a molecular weight of 338.04 g/mol. Its IUPAC name is 5-bromo-3-(3-bromo-2,2-dimethylpropyl)-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-(3-bromo-2,2-dimethylpropyl)-2-methylpyrimidin-4-one
PubChem CID66309002
Molecular FormulaC10H14Br2N2O
Molecular Weight338.04 g/mol
Exact Mass335.95
IUPAC Name5-bromo-3-(3-bromo-2,2-dimethylpropyl)-2-methylpyrimidin-4-one
SMILESCc1ncc(Br)c(=O)n1CC(C)(C)CBr
InChIInChI=1S/C10H14Br2N2O/c1-7-13-4-8(12)9(15)14(7)6-10(2,3)5-11/h4H,5-6H2,1-3H3
InChIKeyQQQIDYZLCPSXQP-UHFFFAOYSA-N
XLogP2.74
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.04
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(3-bromo-2,2-dimethylpropyl)-2-methylpyrimidin-4-one?
The IUPAC name of 5-bromo-3-(3-bromo-2,2-dimethylpropyl)-2-methylpyrimidin-4-one (CID 66309002) is 5-bromo-3-(3-bromo-2,2-dimethylpropyl)-2-methylpyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-(3-bromo-2,2-dimethylpropyl)-2-methylpyrimidin-4-one?
The canonical SMILES for 5-bromo-3-(3-bromo-2,2-dimethylpropyl)-2-methylpyrimidin-4-one is Cc1ncc(Br)c(=O)n1CC(C)(C)CBr.
What is the InChIKey of 5-bromo-3-(3-bromo-2,2-dimethylpropyl)-2-methylpyrimidin-4-one?
The InChIKey is QQQIDYZLCPSXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Br2N2O/c1-7-13-4-8(12)9(15)14(7)6-10(2,3)5-11/h4H,5-6H2,1-3H3.
What are the key properties of 5-bromo-3-(3-bromo-2,2-dimethylpropyl)-2-methylpyrimidin-4-one?
5-bromo-3-(3-bromo-2,2-dimethylpropyl)-2-methylpyrimidin-4-one has a molecular weight of 338.04 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(3-bromo-2,2-dimethylpropyl)-2-methylpyrimidin-4-one is sourced from PubChem (CID 66309002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).