5-bromo-3-(2-bromoprop-2-enyl)-6-methylpyrimidin-4-one

C8H8Br2N2O — CID 66307928

IUPAC5-bromo-3-(2-bromoprop-2-enyl)-6-methylpyrimidin-4-one
SMILESC=C(Br)Cn1cnc(C)c(Br)c1=O
InChIInChI=1S/C8H8Br2N2O/c1-5(9)3-12-4-11-6(2)7(10)8(12)13/h4H,1,3H2,2H3
InChIKeyANCPJDBCSBRXQY-UHFFFAOYSA-N
MW307.97 g/mol
LogP2.22
Rot. Bonds2

About 5-bromo-3-(2-bromoprop-2-enyl)-6-methylpyrimidin-4-one

5-bromo-3-(2-bromoprop-2-enyl)-6-methylpyrimidin-4-one (PubChem CID 66307928) has the molecular formula C8H8Br2N2O and a molecular weight of 307.97 g/mol. Its IUPAC name is 5-bromo-3-(2-bromoprop-2-enyl)-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-(2-bromoprop-2-enyl)-6-methylpyrimidin-4-one
PubChem CID66307928
Molecular FormulaC8H8Br2N2O
Molecular Weight307.97 g/mol
Exact Mass305.90
IUPAC Name5-bromo-3-(2-bromoprop-2-enyl)-6-methylpyrimidin-4-one
SMILESC=C(Br)Cn1cnc(C)c(Br)c1=O
InChIInChI=1S/C8H8Br2N2O/c1-5(9)3-12-4-11-6(2)7(10)8(12)13/h4H,1,3H2,2H3
InChIKeyANCPJDBCSBRXQY-UHFFFAOYSA-N
XLogP2.22
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.97
LogP ≤ 52.22
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)-6-methylpyrimidin-4-one?
The IUPAC name of 5-bromo-3-(2-bromoprop-2-enyl)-6-methylpyrimidin-4-one (CID 66307928) is 5-bromo-3-(2-bromoprop-2-enyl)-6-methylpyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-(2-bromoprop-2-enyl)-6-methylpyrimidin-4-one?
The canonical SMILES for 5-bromo-3-(2-bromoprop-2-enyl)-6-methylpyrimidin-4-one is C=C(Br)Cn1cnc(C)c(Br)c1=O.
What is the InChIKey of 5-bromo-3-(2-bromoprop-2-enyl)-6-methylpyrimidin-4-one?
The InChIKey is ANCPJDBCSBRXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br2N2O/c1-5(9)3-12-4-11-6(2)7(10)8(12)13/h4H,1,3H2,2H3.
What are the key properties of 5-bromo-3-(2-bromoprop-2-enyl)-6-methylpyrimidin-4-one?
5-bromo-3-(2-bromoprop-2-enyl)-6-methylpyrimidin-4-one has a molecular weight of 307.97 g/mol, XLogP of 2.22, 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)-6-methylpyrimidin-4-one is sourced from PubChem (CID 66307928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).