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

C9H10BrClN2O — CID 106439728

IUPAC5-bromo-3-(3-chloro-2-methylprop-2-enyl)-6-methylpyrimidin-4-one
SMILESCC(=CCl)Cn1cnc(C)c(Br)c1=O
InChIInChI=1S/C9H10BrClN2O/c1-6(3-11)4-13-5-12-7(2)8(10)9(13)14/h3,5H,4H2,1-2H3
InChIKeyRXPMFVLRKIQTPO-UHFFFAOYSA-N
MW277.55 g/mol
LogP2.46
Rot. Bonds2

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

5-bromo-3-(3-chloro-2-methylprop-2-enyl)-6-methylpyrimidin-4-one (PubChem CID 106439728) has the molecular formula C9H10BrClN2O and a molecular weight of 277.55 g/mol. Its IUPAC name is 5-bromo-3-(3-chloro-2-methylprop-2-enyl)-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-(3-chloro-2-methylprop-2-enyl)-6-methylpyrimidin-4-one
PubChem CID106439728
Molecular FormulaC9H10BrClN2O
Molecular Weight277.55 g/mol
Exact Mass275.97
IUPAC Name5-bromo-3-(3-chloro-2-methylprop-2-enyl)-6-methylpyrimidin-4-one
SMILESCC(=CCl)Cn1cnc(C)c(Br)c1=O
InChIInChI=1S/C9H10BrClN2O/c1-6(3-11)4-13-5-12-7(2)8(10)9(13)14/h3,5H,4H2,1-2H3
InChIKeyRXPMFVLRKIQTPO-UHFFFAOYSA-N
XLogP2.46
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.55
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-methylprop-2-enyl)-4,5-dimethylimidazole
CID 106440202
5,6-dichloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one
CID 106439753
5-bromo-3-(2-bromoethyl)-6-methylpyrimidin-4-one
CID 66310232
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-ethyl-N-methylacetamide
CID 66308123
5-bromo-3-(4-chlorobut-2-enyl)-6-methylpyrimidin-4-one
CID 77120209
5-bromo-6-methyl-3-[2-(4-methylphenyl)-2-oxoethyl]pyrimidin-4-one
CID 66311109
2-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 66309630
5-bromo-3-[2-(diethylamino)ethyl]-6-methylpyrimidin-4-one
CID 66309605
5-bromo-6-methyl-3-(3-methylbutyl)pyrimidin-4-one
CID 66311093
5-bromo-6-methyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]pyrimidin-4-one
CID 66308336
5-bromo-6-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
CID 66309620
3-benzyl-5-bromo-6-methylpyrimidin-4-one
CID 66308961

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(3-chloro-2-methylprop-2-enyl)-6-methylpyrimidin-4-one?
The IUPAC name of 5-bromo-3-(3-chloro-2-methylprop-2-enyl)-6-methylpyrimidin-4-one (CID 106439728) is 5-bromo-3-(3-chloro-2-methylprop-2-enyl)-6-methylpyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-(3-chloro-2-methylprop-2-enyl)-6-methylpyrimidin-4-one?
The canonical SMILES for 5-bromo-3-(3-chloro-2-methylprop-2-enyl)-6-methylpyrimidin-4-one is CC(=CCl)Cn1cnc(C)c(Br)c1=O.
What is the InChIKey of 5-bromo-3-(3-chloro-2-methylprop-2-enyl)-6-methylpyrimidin-4-one?
The InChIKey is RXPMFVLRKIQTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClN2O/c1-6(3-11)4-13-5-12-7(2)8(10)9(13)14/h3,5H,4H2,1-2H3.
What are the key properties of 5-bromo-3-(3-chloro-2-methylprop-2-enyl)-6-methylpyrimidin-4-one?
5-bromo-3-(3-chloro-2-methylprop-2-enyl)-6-methylpyrimidin-4-one has a molecular weight of 277.55 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(3-chloro-2-methylprop-2-enyl)-6-methylpyrimidin-4-one is sourced from PubChem (CID 106439728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).