5,6-dichloro-3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one

C8H10Cl2N2O3 — CID 114583008

IUPAC5,6-dichloro-3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)ncn1CCOCCO
InChIInChI=1S/C8H10Cl2N2O3/c9-6-7(10)11-5-12(8(6)14)1-3-15-4-2-13/h5,13H,1-4H2
InChIKeyKGJMTZNCLOSTJH-UHFFFAOYSA-N
MW253.08 g/mol
LogP0.56
Rot. Bonds5

About 5,6-dichloro-3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one

5,6-dichloro-3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one (PubChem CID 114583008) has the molecular formula C8H10Cl2N2O3 and a molecular weight of 253.08 g/mol. Its IUPAC name is 5,6-dichloro-3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one
PubChem CID114583008
Molecular FormulaC8H10Cl2N2O3
Molecular Weight253.08 g/mol
Exact Mass252.01
IUPAC Name5,6-dichloro-3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one
SMILESO=c1c(Cl)c(Cl)ncn1CCOCCO
InChIInChI=1S/C8H10Cl2N2O3/c9-6-7(10)11-5-12(8(6)14)1-3-15-4-2-13/h5,13H,1-4H2
InChIKeyKGJMTZNCLOSTJH-UHFFFAOYSA-N
XLogP0.56
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.08
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one (CID 114583008) is 5,6-dichloro-3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one is O=c1c(Cl)c(Cl)ncn1CCOCCO.
What is the InChIKey of 5,6-dichloro-3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one?
The InChIKey is KGJMTZNCLOSTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2O3/c9-6-7(10)11-5-12(8(6)14)1-3-15-4-2-13/h5,13H,1-4H2.
What are the key properties of 5,6-dichloro-3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one?
5,6-dichloro-3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one has a molecular weight of 253.08 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one is sourced from PubChem (CID 114583008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).