5,6-dichloro-3-(2-hydroxyethyl)pyrimidin-4-one

C6H6Cl2N2O2 — CID 114582896

IUPAC5,6-dichloro-3-(2-hydroxyethyl)pyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)ncn1CCO
InChIInChI=1S/C6H6Cl2N2O2/c7-4-5(8)9-3-10(1-2-11)6(4)12/h3,11H,1-2H2
InChIKeyFXQXBWHUSCITJW-UHFFFAOYSA-N
MW209.03 g/mol
LogP0.54
Rot. Bonds2

About 5,6-dichloro-3-(2-hydroxyethyl)pyrimidin-4-one

5,6-dichloro-3-(2-hydroxyethyl)pyrimidin-4-one (PubChem CID 114582896) has the molecular formula C6H6Cl2N2O2 and a molecular weight of 209.03 g/mol. Its IUPAC name is 5,6-dichloro-3-(2-hydroxyethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-(2-hydroxyethyl)pyrimidin-4-one
PubChem CID114582896
Molecular FormulaC6H6Cl2N2O2
Molecular Weight209.03 g/mol
Exact Mass207.98
IUPAC Name5,6-dichloro-3-(2-hydroxyethyl)pyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)ncn1CCO
InChIInChI=1S/C6H6Cl2N2O2/c7-4-5(8)9-3-10(1-2-11)6(4)12/h3,11H,1-2H2
InChIKeyFXQXBWHUSCITJW-UHFFFAOYSA-N
XLogP0.54
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.03
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-(2-hydroxyethyl)pyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-(2-hydroxyethyl)pyrimidin-4-one (CID 114582896) is 5,6-dichloro-3-(2-hydroxyethyl)pyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-(2-hydroxyethyl)pyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-(2-hydroxyethyl)pyrimidin-4-one is O=c1c(Cl)c(Cl)ncn1CCO.
What is the InChIKey of 5,6-dichloro-3-(2-hydroxyethyl)pyrimidin-4-one?
The InChIKey is FXQXBWHUSCITJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2O2/c7-4-5(8)9-3-10(1-2-11)6(4)12/h3,11H,1-2H2.
What are the key properties of 5,6-dichloro-3-(2-hydroxyethyl)pyrimidin-4-one?
5,6-dichloro-3-(2-hydroxyethyl)pyrimidin-4-one has a molecular weight of 209.03 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-(2-hydroxyethyl)pyrimidin-4-one is sourced from PubChem (CID 114582896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).