1-[2-(4-chlorophenyl)ethyl]-6-hydroxy-5-methylpyrimidine-2,4-dione

C13H13ClN2O3 — CID 112600003

IUPAC1-[2-(4-chlorophenyl)ethyl]-6-hydroxy-5-methylpyrimidine-2,4-dione
SMILESCc1c(O)n(CCc2ccc(Cl)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C13H13ClN2O3/c1-8-11(17)15-13(19)16(12(8)18)7-6-9-2-4-10(14)5-3-9/h2-5,18H,6-7H2,1H3,(H,15,17,19)
InChIKeyFEWBEDICQACDOA-UHFFFAOYSA-N
MW280.71 g/mol
LogP1.45
Rot. Bonds3

About 1-[2-(4-chlorophenyl)ethyl]-6-hydroxy-5-methylpyrimidine-2,4-dione

1-[2-(4-chlorophenyl)ethyl]-6-hydroxy-5-methylpyrimidine-2,4-dione (PubChem CID 112600003) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-6-hydroxy-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-6-hydroxy-5-methylpyrimidine-2,4-dione
PubChem CID112600003
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-6-hydroxy-5-methylpyrimidine-2,4-dione
SMILESCc1c(O)n(CCc2ccc(Cl)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C13H13ClN2O3/c1-8-11(17)15-13(19)16(12(8)18)7-6-9-2-4-10(14)5-3-9/h2-5,18H,6-7H2,1H3,(H,15,17,19)
InChIKeyFEWBEDICQACDOA-UHFFFAOYSA-N
XLogP1.45
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-6-hydroxy-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-6-hydroxy-5-methylpyrimidine-2,4-dione (CID 112600003) is 1-[2-(4-chlorophenyl)ethyl]-6-hydroxy-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-6-hydroxy-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-6-hydroxy-5-methylpyrimidine-2,4-dione is Cc1c(O)n(CCc2ccc(Cl)cc2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-6-hydroxy-5-methylpyrimidine-2,4-dione?
The InChIKey is FEWBEDICQACDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c1-8-11(17)15-13(19)16(12(8)18)7-6-9-2-4-10(14)5-3-9/h2-5,18H,6-7H2,1H3,(H,15,17,19).
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-6-hydroxy-5-methylpyrimidine-2,4-dione?
1-[2-(4-chlorophenyl)ethyl]-6-hydroxy-5-methylpyrimidine-2,4-dione has a molecular weight of 280.71 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-6-hydroxy-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 112600003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).