5-bromo-3-(2-hydroxyethyl)pyrimidin-4-one

C6H7BrN2O2 — CID 66309975

IUPAC5-bromo-3-(2-hydroxyethyl)pyrimidin-4-one
SMILESO=c1c(Br)cncn1CCO
InChIInChI=1S/C6H7BrN2O2/c7-5-3-8-4-9(1-2-10)6(5)11/h3-4,10H,1-2H2
InChIKeyCVDORSOOSNPFKO-UHFFFAOYSA-N
MW219.04 g/mol
LogP-0.00
Rot. Bonds2

About 5-bromo-3-(2-hydroxyethyl)pyrimidin-4-one

5-bromo-3-(2-hydroxyethyl)pyrimidin-4-one (PubChem CID 66309975) has the molecular formula C6H7BrN2O2 and a molecular weight of 219.04 g/mol. Its IUPAC name is 5-bromo-3-(2-hydroxyethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-(2-hydroxyethyl)pyrimidin-4-one
PubChem CID66309975
Molecular FormulaC6H7BrN2O2
Molecular Weight219.04 g/mol
Exact Mass217.97
IUPAC Name5-bromo-3-(2-hydroxyethyl)pyrimidin-4-one
SMILESO=c1c(Br)cncn1CCO
InChIInChI=1S/C6H7BrN2O2/c7-5-3-8-4-9(1-2-10)6(5)11/h3-4,10H,1-2H2
InChIKeyCVDORSOOSNPFKO-UHFFFAOYSA-N
XLogP-0.00
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.04
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-Hydroxyethyl)-3,4-dihydropyrimidin-4-one
CID 63769901
5-Bromo-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one
CID 66311062
5-Bromo-3-(3-fluoro-2-hydroxypropyl)-3,4-dihydropyrimidin-4-one
CID 165748140
5-Bromo-3-(2-methoxyethyl)pyrimidin-4-one
CID 66308089
5-Bromo-3-(2-hydroxypropyl)pyrimidin-4-one
CID 66310419
5-Bromo-3-(oxetan-3-yl)pyrimidin-4-one
CID 166981879
5-Bromo-3-(1-hydroxypropan-2-yl)pyrimidin-4-one
CID 178677244
5-Bromo-3-(2-ethoxyethyl)pyrimidin-4-one
CID 66307878
5-Bromo-3-(4-hydroxybutyl)pyrimidin-4-one
CID 66308284
5-Bromo-3-(2-hydroxyethyl)-6-methylpyrimidin-4-one
CID 66308331
2-(5-Bromo-6-oxopyrimidin-1-yl)acetaldehyde
CID 66308491
5-Bromo-3-(3-hydroxypropyl)pyrimidin-4-one
CID 66308925

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2-hydroxyethyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-3-(2-hydroxyethyl)pyrimidin-4-one (CID 66309975) is 5-bromo-3-(2-hydroxyethyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-(2-hydroxyethyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-(2-hydroxyethyl)pyrimidin-4-one is O=c1c(Br)cncn1CCO.
What is the InChIKey of 5-bromo-3-(2-hydroxyethyl)pyrimidin-4-one?
The InChIKey is CVDORSOOSNPFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O2/c7-5-3-8-4-9(1-2-10)6(5)11/h3-4,10H,1-2H2.
What are the key properties of 5-bromo-3-(2-hydroxyethyl)pyrimidin-4-one?
5-bromo-3-(2-hydroxyethyl)pyrimidin-4-one has a molecular weight of 219.04 g/mol, XLogP of -0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2-hydroxyethyl)pyrimidin-4-one is sourced from PubChem (CID 66309975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).