5-bromo-6-chloro-3-(2,3-dihydroxypropyl)pyrimidin-4-one

C7H8BrClN2O3 — CID 114583446

IUPAC5-bromo-6-chloro-3-(2,3-dihydroxypropyl)pyrimidin-4-one
SMILESO=c1c(Br)c(Cl)ncn1CC(O)CO
InChIInChI=1S/C7H8BrClN2O3/c8-5-6(9)10-3-11(7(5)14)1-4(13)2-12/h3-4,12-13H,1-2H2
InChIKeyZEMUUSYBYGXAKE-UHFFFAOYSA-N
MW283.51 g/mol
LogP0.01
Rot. Bonds3

About 5-bromo-6-chloro-3-(2,3-dihydroxypropyl)pyrimidin-4-one

5-bromo-6-chloro-3-(2,3-dihydroxypropyl)pyrimidin-4-one (PubChem CID 114583446) has the molecular formula C7H8BrClN2O3 and a molecular weight of 283.51 g/mol. Its IUPAC name is 5-bromo-6-chloro-3-(2,3-dihydroxypropyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-chloro-3-(2,3-dihydroxypropyl)pyrimidin-4-one
PubChem CID114583446
Molecular FormulaC7H8BrClN2O3
Molecular Weight283.51 g/mol
Exact Mass281.94
IUPAC Name5-bromo-6-chloro-3-(2,3-dihydroxypropyl)pyrimidin-4-one
SMILESO=c1c(Br)c(Cl)ncn1CC(O)CO
InChIInChI=1S/C7H8BrClN2O3/c8-5-6(9)10-3-11(7(5)14)1-4(13)2-12/h3-4,12-13H,1-2H2
InChIKeyZEMUUSYBYGXAKE-UHFFFAOYSA-N
XLogP0.01
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.51
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-Bromo-3-(2,3-dihydroxypropyl)pyrimidin-4-one
CID 80718354
5-Bromo-3-(2,3-dihydroxypropyl)-6-methylpyrimidin-4-one
CID 82850343
6-Chloro-3-(2,3-dihydroxypropyl)pyrimidin-4-one
CID 114582154
5,6-Dichloro-3-(2,3-dihydroxypropyl)pyrimidin-4-one
CID 114583019
5-Bromo-6-chloro-3-(2-hydroxyethyl)pyrimidin-4-one
CID 114583322
5-Bromo-6-chloro-3-(3-hydroxypropyl)pyrimidin-4-one
CID 114583347
5-Bromo-6-chloro-3-(2-hydroxypropyl)pyrimidin-4-one
CID 114583405
5-Bromo-6-chloro-3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one
CID 114583434
5-Bromo-6-chloro-3-(3-hydroxybutyl)pyrimidin-4-one
CID 114583479
5-Bromo-6-chloro-3-(3-hydroxy-2-methylpropyl)pyrimidin-4-one
CID 114583530
6-Chloro-3-(2,3-dihydroxypropyl)-5-iodopyrimidin-4-one
CID 114583872

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-3-(2,3-dihydroxypropyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-6-chloro-3-(2,3-dihydroxypropyl)pyrimidin-4-one (CID 114583446) is 5-bromo-6-chloro-3-(2,3-dihydroxypropyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-chloro-3-(2,3-dihydroxypropyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-6-chloro-3-(2,3-dihydroxypropyl)pyrimidin-4-one is O=c1c(Br)c(Cl)ncn1CC(O)CO.
What is the InChIKey of 5-bromo-6-chloro-3-(2,3-dihydroxypropyl)pyrimidin-4-one?
The InChIKey is ZEMUUSYBYGXAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrClN2O3/c8-5-6(9)10-3-11(7(5)14)1-4(13)2-12/h3-4,12-13H,1-2H2.
What are the key properties of 5-bromo-6-chloro-3-(2,3-dihydroxypropyl)pyrimidin-4-one?
5-bromo-6-chloro-3-(2,3-dihydroxypropyl)pyrimidin-4-one has a molecular weight of 283.51 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-3-(2,3-dihydroxypropyl)pyrimidin-4-one is sourced from PubChem (CID 114583446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).