5-bromo-3-(2-bromoprop-2-enyl)pyrimidin-4-one

C7H6Br2N2O — CID 66311063

IUPAC5-bromo-3-(2-bromoprop-2-enyl)pyrimidin-4-one
SMILESC=C(Br)Cn1cncc(Br)c1=O
InChIInChI=1S/C7H6Br2N2O/c1-5(8)3-11-4-10-2-6(9)7(11)12/h2,4H,1,3H2
InChIKeyCEMDSNOECMQDBN-UHFFFAOYSA-N
MW293.95 g/mol
LogP1.91
Rot. Bonds2

About 5-bromo-3-(2-bromoprop-2-enyl)pyrimidin-4-one

5-bromo-3-(2-bromoprop-2-enyl)pyrimidin-4-one (PubChem CID 66311063) has the molecular formula C7H6Br2N2O and a molecular weight of 293.95 g/mol. Its IUPAC name is 5-bromo-3-(2-bromoprop-2-enyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-(2-bromoprop-2-enyl)pyrimidin-4-one
PubChem CID66311063
Molecular FormulaC7H6Br2N2O
Molecular Weight293.95 g/mol
Exact Mass291.88
IUPAC Name5-bromo-3-(2-bromoprop-2-enyl)pyrimidin-4-one
SMILESC=C(Br)Cn1cncc(Br)c1=O
InChIInChI=1S/C7H6Br2N2O/c1-5(8)3-11-4-10-2-6(9)7(11)12/h2,4H,1,3H2
InChIKeyCEMDSNOECMQDBN-UHFFFAOYSA-N
XLogP1.91
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.95
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2-bromoprop-2-enyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-3-(2-bromoprop-2-enyl)pyrimidin-4-one (CID 66311063) is 5-bromo-3-(2-bromoprop-2-enyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-(2-bromoprop-2-enyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-(2-bromoprop-2-enyl)pyrimidin-4-one is C=C(Br)Cn1cncc(Br)c1=O.
What is the InChIKey of 5-bromo-3-(2-bromoprop-2-enyl)pyrimidin-4-one?
The InChIKey is CEMDSNOECMQDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Br2N2O/c1-5(8)3-11-4-10-2-6(9)7(11)12/h2,4H,1,3H2.
What are the key properties of 5-bromo-3-(2-bromoprop-2-enyl)pyrimidin-4-one?
5-bromo-3-(2-bromoprop-2-enyl)pyrimidin-4-one has a molecular weight of 293.95 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2-bromoprop-2-enyl)pyrimidin-4-one is sourced from PubChem (CID 66311063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).