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

C7H8Cl2N2O2 — CID 114583146

IUPAC5,6-dichloro-3-(2-methoxyethyl)pyrimidin-4-one
SMILESCOCCn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C7H8Cl2N2O2/c1-13-3-2-11-4-10-6(9)5(8)7(11)12/h4H,2-3H2,1H3
InChIKeyXCNWVCUMAJTZDD-UHFFFAOYSA-N
MW223.06 g/mol
LogP1.20
Rot. Bonds3

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

5,6-dichloro-3-(2-methoxyethyl)pyrimidin-4-one (PubChem CID 114583146) has the molecular formula C7H8Cl2N2O2 and a molecular weight of 223.06 g/mol. Its IUPAC name is 5,6-dichloro-3-(2-methoxyethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-(2-methoxyethyl)pyrimidin-4-one
PubChem CID114583146
Molecular FormulaC7H8Cl2N2O2
Molecular Weight223.06 g/mol
Exact Mass222.00
IUPAC Name5,6-dichloro-3-(2-methoxyethyl)pyrimidin-4-one
SMILESCOCCn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C7H8Cl2N2O2/c1-13-3-2-11-4-10-6(9)5(8)7(11)12/h4H,2-3H2,1H3
InChIKeyXCNWVCUMAJTZDD-UHFFFAOYSA-N
XLogP1.20
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.06
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-(2-methoxyethyl)pyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-(2-methoxyethyl)pyrimidin-4-one (CID 114583146) is 5,6-dichloro-3-(2-methoxyethyl)pyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-(2-methoxyethyl)pyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-(2-methoxyethyl)pyrimidin-4-one is COCCn1cnc(Cl)c(Cl)c1=O.
What is the InChIKey of 5,6-dichloro-3-(2-methoxyethyl)pyrimidin-4-one?
The InChIKey is XCNWVCUMAJTZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N2O2/c1-13-3-2-11-4-10-6(9)5(8)7(11)12/h4H,2-3H2,1H3.
What are the key properties of 5,6-dichloro-3-(2-methoxyethyl)pyrimidin-4-one?
5,6-dichloro-3-(2-methoxyethyl)pyrimidin-4-one has a molecular weight of 223.06 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-(2-methoxyethyl)pyrimidin-4-one is sourced from PubChem (CID 114583146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).