1-[1-(3-chlorophenyl)ethyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione

C14H15ClN2O3 — CID 115947480

IUPAC1-[1-(3-chlorophenyl)ethyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione
SMILESCCc1c(O)n(C(C)c2cccc(Cl)c2)c(=O)[nH]c1=O
InChIInChI=1S/C14H15ClN2O3/c1-3-11-12(18)16-14(20)17(13(11)19)8(2)9-5-4-6-10(15)7-9/h4-8,19H,3H2,1-2H3,(H,16,18,20)
InChIKeyOXIYLYBKEMGDSW-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.07
Rot. Bonds3

About 1-[1-(3-chlorophenyl)ethyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione

1-[1-(3-chlorophenyl)ethyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione (PubChem CID 115947480) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)ethyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)ethyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione
PubChem CID115947480
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name1-[1-(3-chlorophenyl)ethyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione
SMILESCCc1c(O)n(C(C)c2cccc(Cl)c2)c(=O)[nH]c1=O
InChIInChI=1S/C14H15ClN2O3/c1-3-11-12(18)16-14(20)17(13(11)19)8(2)9-5-4-6-10(15)7-9/h4-8,19H,3H2,1-2H3,(H,16,18,20)
InChIKeyOXIYLYBKEMGDSW-UHFFFAOYSA-N
XLogP2.07
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-6-hydroxy-1-(1-phenylethyl)pyrimidine-2,4-dione
CID 112598276
6-amino-1-[1-(3-chlorophenyl)ethyl]pyrimidine-2,4-dione
CID 54965404
1-(4-chlorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112598250
1-(5-chloro-2-methoxyphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115946125
(2R)-2-(3-chlorophenyl)butanenitrile
CID 175457455
3-(3-chlorophenyl)-4-hydroxy-5-propan-2-yl-1H-imidazol-2-one
CID 91265163
2-[(3-chlorophenyl)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 63611264
1-(2,3-dimethylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112598557
methyl 5-amino-1-[1-(3-chlorophenyl)ethyl]-2-ethylimidazole-4-carboxylate
CID 103545026
2-[(1R)-1-(3-chlorophenyl)ethyl]isoindole-1,3-dione
CID 101386514
ethyl 1-[1-(3-chlorophenyl)ethyl]pyrazole-4-carboxylate
CID 169109329
2-[2-(3-chlorophenyl)-2-hydroxyethyl]-5,6-diethyl-3-oxopyridazine-4-carbonitrile
CID 111476783

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)ethyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-[1-(3-chlorophenyl)ethyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione (CID 115947480) is 1-[1-(3-chlorophenyl)ethyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-[1-(3-chlorophenyl)ethyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-[1-(3-chlorophenyl)ethyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione is CCc1c(O)n(C(C)c2cccc(Cl)c2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[1-(3-chlorophenyl)ethyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione?
The InChIKey is OXIYLYBKEMGDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-3-11-12(18)16-14(20)17(13(11)19)8(2)9-5-4-6-10(15)7-9/h4-8,19H,3H2,1-2H3,(H,16,18,20).
What are the key properties of 1-[1-(3-chlorophenyl)ethyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione?
1-[1-(3-chlorophenyl)ethyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione has a molecular weight of 294.74 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)ethyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 115947480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).