5-(4-chlorophenyl)-2-(ethoxymethyl)-4-hydroxy-1H-pyrimidin-6-one

C13H13ClN2O3 — CID 79438089

IUPAC5-(4-chlorophenyl)-2-(ethoxymethyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOCc1nc(O)c(-c2ccc(Cl)cc2)c(=O)[nH]1
InChIInChI=1S/C13H13ClN2O3/c1-2-19-7-10-15-12(17)11(13(18)16-10)8-3-5-9(14)6-4-8/h3-6H,2,7H2,1H3,(H2,15,16,17,18)
InChIKeyAGWNSMQCEHACDA-UHFFFAOYSA-N
MW280.71 g/mol
LogP2.33
Rot. Bonds4

About 5-(4-chlorophenyl)-2-(ethoxymethyl)-4-hydroxy-1H-pyrimidin-6-one

5-(4-chlorophenyl)-2-(ethoxymethyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 79438089) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-(ethoxymethyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-(ethoxymethyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID79438089
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Name5-(4-chlorophenyl)-2-(ethoxymethyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOCc1nc(O)c(-c2ccc(Cl)cc2)c(=O)[nH]1
InChIInChI=1S/C13H13ClN2O3/c1-2-19-7-10-15-12(17)11(13(18)16-10)8-3-5-9(14)6-4-8/h3-6H,2,7H2,1H3,(H2,15,16,17,18)
InChIKeyAGWNSMQCEHACDA-UHFFFAOYSA-N
XLogP2.33
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-(ethoxymethyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-(4-chlorophenyl)-2-(ethoxymethyl)-4-hydroxy-1H-pyrimidin-6-one (CID 79438089) is 5-(4-chlorophenyl)-2-(ethoxymethyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(4-chlorophenyl)-2-(ethoxymethyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-(4-chlorophenyl)-2-(ethoxymethyl)-4-hydroxy-1H-pyrimidin-6-one is CCOCc1nc(O)c(-c2ccc(Cl)cc2)c(=O)[nH]1.
What is the InChIKey of 5-(4-chlorophenyl)-2-(ethoxymethyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is AGWNSMQCEHACDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c1-2-19-7-10-15-12(17)11(13(18)16-10)8-3-5-9(14)6-4-8/h3-6H,2,7H2,1H3,(H2,15,16,17,18).
What are the key properties of 5-(4-chlorophenyl)-2-(ethoxymethyl)-4-hydroxy-1H-pyrimidin-6-one?
5-(4-chlorophenyl)-2-(ethoxymethyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 280.71 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-(ethoxymethyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 79438089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).