5-chloro-1-[2-(3-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione

C13H11ClN2O3 — CID 66424169

IUPAC5-chloro-1-[2-(3-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESCc1cccc(C(=O)Cn2cc(Cl)c(=O)[nH]c2=O)c1
InChIInChI=1S/C13H11ClN2O3/c1-8-3-2-4-9(5-8)11(17)7-16-6-10(14)12(18)15-13(16)19/h2-6H,7H2,1H3,(H,15,18,19)
InChIKeyAZLSBVIEENUXBF-UHFFFAOYSA-N
MW278.70 g/mol
LogP1.38
Rot. Bonds3

About 5-chloro-1-[2-(3-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione

5-chloro-1-[2-(3-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 66424169) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.70 g/mol. Its IUPAC name is 5-chloro-1-[2-(3-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-chloro-1-[2-(3-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione
PubChem CID66424169
Molecular FormulaC13H11ClN2O3
Molecular Weight278.70 g/mol
Exact Mass278.05
IUPAC Name5-chloro-1-[2-(3-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESCc1cccc(C(=O)Cn2cc(Cl)c(=O)[nH]c2=O)c1
InChIInChI=1S/C13H11ClN2O3/c1-8-3-2-4-9(5-8)11(17)7-16-6-10(14)12(18)15-13(16)19/h2-6H,7H2,1H3,(H,15,18,19)
InChIKeyAZLSBVIEENUXBF-UHFFFAOYSA-N
XLogP1.38
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[2-(3-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-chloro-1-[2-(3-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione (CID 66424169) is 5-chloro-1-[2-(3-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-chloro-1-[2-(3-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-chloro-1-[2-(3-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione is Cc1cccc(C(=O)Cn2cc(Cl)c(=O)[nH]c2=O)c1.
What is the InChIKey of 5-chloro-1-[2-(3-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione?
The InChIKey is AZLSBVIEENUXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c1-8-3-2-4-9(5-8)11(17)7-16-6-10(14)12(18)15-13(16)19/h2-6H,7H2,1H3,(H,15,18,19).
What are the key properties of 5-chloro-1-[2-(3-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione?
5-chloro-1-[2-(3-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione has a molecular weight of 278.70 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[2-(3-methylphenyl)-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 66424169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).