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

C7H8Cl2N2O3 — CID 114583019

IUPAC5,6-dichloro-3-(2,3-dihydroxypropyl)pyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)ncn1CC(O)CO
InChIInChI=1S/C7H8Cl2N2O3/c8-5-6(9)10-3-11(7(5)14)1-4(13)2-12/h3-4,12-13H,1-2H2
InChIKeyUKUQBNMIJYRQIO-UHFFFAOYSA-N
MW239.06 g/mol
LogP-0.10
Rot. Bonds3

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

5,6-dichloro-3-(2,3-dihydroxypropyl)pyrimidin-4-one (PubChem CID 114583019) has the molecular formula C7H8Cl2N2O3 and a molecular weight of 239.06 g/mol. Its IUPAC name is 5,6-dichloro-3-(2,3-dihydroxypropyl)pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-(2,3-dihydroxypropyl)pyrimidin-4-one
PubChem CID114583019
Molecular FormulaC7H8Cl2N2O3
Molecular Weight239.06 g/mol
Exact Mass237.99
IUPAC Name5,6-dichloro-3-(2,3-dihydroxypropyl)pyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)ncn1CC(O)CO
InChIInChI=1S/C7H8Cl2N2O3/c8-5-6(9)10-3-11(7(5)14)1-4(13)2-12/h3-4,12-13H,1-2H2
InChIKeyUKUQBNMIJYRQIO-UHFFFAOYSA-N
XLogP-0.10
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.06
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-(2,3-dihydroxypropyl)pyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-(2,3-dihydroxypropyl)pyrimidin-4-one (CID 114583019) is 5,6-dichloro-3-(2,3-dihydroxypropyl)pyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-(2,3-dihydroxypropyl)pyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-(2,3-dihydroxypropyl)pyrimidin-4-one is O=c1c(Cl)c(Cl)ncn1CC(O)CO.
What is the InChIKey of 5,6-dichloro-3-(2,3-dihydroxypropyl)pyrimidin-4-one?
The InChIKey is UKUQBNMIJYRQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N2O3/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 5,6-dichloro-3-(2,3-dihydroxypropyl)pyrimidin-4-one?
5,6-dichloro-3-(2,3-dihydroxypropyl)pyrimidin-4-one has a molecular weight of 239.06 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-(2,3-dihydroxypropyl)pyrimidin-4-one is sourced from PubChem (CID 114583019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).