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

C14H13ClN2O4 — CID 66425954

IUPAC5-chloro-1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESCCOc1ccc(C(=O)Cn2cc(Cl)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C14H13ClN2O4/c1-2-21-10-5-3-9(4-6-10)12(18)8-17-7-11(15)13(19)16-14(17)20/h3-7H,2,8H2,1H3,(H,16,19,20)
InChIKeyUHZONMUQYHXMBA-UHFFFAOYSA-N
MW308.72 g/mol
LogP1.47
Rot. Bonds5

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

5-chloro-1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 66425954) has the molecular formula C14H13ClN2O4 and a molecular weight of 308.72 g/mol. Its IUPAC name is 5-chloro-1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-chloro-1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione
PubChem CID66425954
Molecular FormulaC14H13ClN2O4
Molecular Weight308.72 g/mol
Exact Mass308.06
IUPAC Name5-chloro-1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESCCOc1ccc(C(=O)Cn2cc(Cl)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C14H13ClN2O4/c1-2-21-10-5-3-9(4-6-10)12(18)8-17-7-11(15)13(19)16-14(17)20/h3-7H,2,8H2,1H3,(H,16,19,20)
InChIKeyUHZONMUQYHXMBA-UHFFFAOYSA-N
XLogP1.47
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.72
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,4-Dioxo-3,4,5,6,7,8-hexahydro-2H-quinazolin-1-yl)-N-[2-(4-methoxy-phenyl)-2-oxo-ethyl]-propionamide
CID 44338275
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-methoxybenzamide
CID 2148433
5-[(4-Ethoxyphenyl)methyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione
CID 4902650
N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-propoxybenzamide
CID 1926598
N-((1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)-2-(2-(4-ethoxyphenyl)acetamido)acetamide
CID 8034941
2-(4-acetylphenoxy)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)acetamide
CID 18281639
4-(4-acetylphenoxy)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]butanamide
CID 24687474
5-[3-(4-methoxyphenyl)-3-oxoprop-1-ynyl]-1H-pyrimidine-2,4-dione
CID 359101
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-propan-2-yloxybenzamide
CID 2148445
N-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-2-(4-ethoxyphenyl)acetamide
CID 2148510
4-(4-Methoxybenzoyl)-1,3-dihydroimidazol-2-one
CID 15567532
6-Amino-1,3-dimethyl-5-(4-phenoxybenzoyl)pyrimidine-2,4-dione
CID 2373106

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-chloro-1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione (CID 66425954) is 5-chloro-1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-chloro-1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-chloro-1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione is CCOc1ccc(C(=O)Cn2cc(Cl)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 5-chloro-1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione?
The InChIKey is UHZONMUQYHXMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O4/c1-2-21-10-5-3-9(4-6-10)12(18)8-17-7-11(15)13(19)16-14(17)20/h3-7H,2,8H2,1H3,(H,16,19,20).
What are the key properties of 5-chloro-1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione?
5-chloro-1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione has a molecular weight of 308.72 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 66425954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).