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

C4H2BrClN2O — CID 11160114

IUPAC5-bromo-2-chloro-1H-pyrimidin-6-one
SMILESO=c1[nH]c(Cl)ncc1Br
InChIInChI=1S/C4H2BrClN2O/c5-2-1-7-4(6)8-3(2)9/h1H,(H,7,8,9)
InChIKeyGIRDZQOHBHZJCC-UHFFFAOYSA-N
MW209.43 g/mol
LogP1.19
Rot. Bonds

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

5-bromo-2-chloro-1H-pyrimidin-6-one (PubChem CID 11160114) has the molecular formula C4H2BrClN2O and a molecular weight of 209.43 g/mol. Its IUPAC name is 5-bromo-2-chloro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-chloro-1H-pyrimidin-6-one
PubChem CID11160114
Molecular FormulaC4H2BrClN2O
Molecular Weight209.43 g/mol
Exact Mass207.90
IUPAC Name5-bromo-2-chloro-1H-pyrimidin-6-one
SMILESO=c1[nH]c(Cl)ncc1Br
InChIInChI=1S/C4H2BrClN2O/c5-2-1-7-4(6)8-3(2)9/h1H,(H,7,8,9)
InChIKeyGIRDZQOHBHZJCC-UHFFFAOYSA-N
XLogP1.19
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.43
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4(3H)-Pyrimidinone, 5-bromo-
CID 88256
2-Chloro-5-fluoropyrimidin-4-ol
CID 255394
2-amino-5-bromo-4(3H)-pyrimidinone
CID 512016
CID 172586501
CID 172586501
2-Amino-5-bromopyrimidin-4-ol hydrobromide
CID 52987636
5-Bromo-6-oxo-1,6-dihydropyrimidin-2-olate
CID 101136770
sodium 5-bromo-6-oxo-1H-pyrimidin-2-olate
CID 117588233
5-Bromo-2-(trichloromethyl)-3,4-dihydropyrimidin-4-one
CID 165874874
5-bromopyrimidin-4(3H)-one-2,6-d2
CID 172403814

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-chloro-1H-pyrimidin-6-one (CID 11160114) is 5-bromo-2-chloro-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-chloro-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-chloro-1H-pyrimidin-6-one is O=c1[nH]c(Cl)ncc1Br.
What is the InChIKey of 5-bromo-2-chloro-1H-pyrimidin-6-one?
The InChIKey is GIRDZQOHBHZJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2BrClN2O/c5-2-1-7-4(6)8-3(2)9/h1H,(H,7,8,9).
What are the key properties of 5-bromo-2-chloro-1H-pyrimidin-6-one?
5-bromo-2-chloro-1H-pyrimidin-6-one has a molecular weight of 209.43 g/mol, XLogP of 1.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-1H-pyrimidin-6-one is sourced from PubChem (CID 11160114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).