5-bromo-2-chloro-4-ethyl-1H-pyrimidin-6-one

C6H6BrClN2O — CID 137000648

IUPAC5-bromo-2-chloro-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(Cl)[nH]c(=O)c1Br
InChIInChI=1S/C6H6BrClN2O/c1-2-3-4(7)5(11)10-6(8)9-3/h2H2,1H3,(H,9,10,11)
InChIKeyAFQBJMAHIYESRE-UHFFFAOYSA-N
MW237.48 g/mol
LogP1.75
Rot. Bonds1

About 5-bromo-2-chloro-4-ethyl-1H-pyrimidin-6-one

5-bromo-2-chloro-4-ethyl-1H-pyrimidin-6-one (PubChem CID 137000648) has the molecular formula C6H6BrClN2O and a molecular weight of 237.48 g/mol. Its IUPAC name is 5-bromo-2-chloro-4-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-chloro-4-ethyl-1H-pyrimidin-6-one
PubChem CID137000648
Molecular FormulaC6H6BrClN2O
Molecular Weight237.48 g/mol
Exact Mass235.94
IUPAC Name5-bromo-2-chloro-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(Cl)[nH]c(=O)c1Br
InChIInChI=1S/C6H6BrClN2O/c1-2-3-4(7)5(11)10-6(8)9-3/h2H2,1H3,(H,9,10,11)
InChIKeyAFQBJMAHIYESRE-UHFFFAOYSA-N
XLogP1.75
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.48
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-5-bromo-6-ethyl-1H-pyrimidin-4-one
CID 135480615
2-Amino-5-bromo-6-propyl-4(3H)-pyrimidinone
CID 135480617
2-Chloro-6-ethyl-5-fluoropyrimidin-4(3H)-one
CID 135552953
5-bromo-2-chloro-6-methyl-4(3H)-Pyrimidinone
CID 135409924
5-Bromo-6-ethylpyrimidin-4-ol
CID 135588401
ammonia; 2-chloro-6-ethyl-5-fluoro-1H-pyrimidin-4-one
CID 135932814
2,5-dibromo-4-tert-butyl-1H-pyrimidin-6-one
CID 136078206
2-Chloro-6-ethyl-5-fluoro4-hydroxypyrimidine, ammonium salt
CID 137178918
5-bromo-4-tert-butyl-2-chloro-1H-pyrimidin-6-one
CID 136089393
2-amino-5-bromo-6-isopropylpyrimidin-4(3H)-one
CID 136225713
5-bromo-2-chloro-4-propan-2-yl-1H-pyrimidin-6-one
CID 137000649
2,5-dibromo-4-ethyl-1H-pyrimidin-6-one
CID 137000650

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-4-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-chloro-4-ethyl-1H-pyrimidin-6-one (CID 137000648) is 5-bromo-2-chloro-4-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-chloro-4-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-chloro-4-ethyl-1H-pyrimidin-6-one is CCc1nc(Cl)[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-2-chloro-4-ethyl-1H-pyrimidin-6-one?
The InChIKey is AFQBJMAHIYESRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrClN2O/c1-2-3-4(7)5(11)10-6(8)9-3/h2H2,1H3,(H,9,10,11).
What are the key properties of 5-bromo-2-chloro-4-ethyl-1H-pyrimidin-6-one?
5-bromo-2-chloro-4-ethyl-1H-pyrimidin-6-one has a molecular weight of 237.48 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-4-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137000648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).