5-ethyl-1-(1-ethylpyrazol-4-yl)-6-hydroxypyrimidine-2,4-dione

C11H14N4O3 — CID 112599407

IUPAC5-ethyl-1-(1-ethylpyrazol-4-yl)-6-hydroxypyrimidine-2,4-dione
SMILESCCc1c(O)n(-c2cnn(CC)c2)c(=O)[nH]c1=O
InChIInChI=1S/C11H14N4O3/c1-3-8-9(16)13-11(18)15(10(8)17)7-5-12-14(4-2)6-7/h5-6,17H,3-4H2,1-2H3,(H,13,16,18)
InChIKeyHJYYAGWSMJKLHS-UHFFFAOYSA-N
MW250.26 g/mol
LogP0.01
Rot. Bonds3

About 5-ethyl-1-(1-ethylpyrazol-4-yl)-6-hydroxypyrimidine-2,4-dione

5-ethyl-1-(1-ethylpyrazol-4-yl)-6-hydroxypyrimidine-2,4-dione (PubChem CID 112599407) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 5-ethyl-1-(1-ethylpyrazol-4-yl)-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-1-(1-ethylpyrazol-4-yl)-6-hydroxypyrimidine-2,4-dione
PubChem CID112599407
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name5-ethyl-1-(1-ethylpyrazol-4-yl)-6-hydroxypyrimidine-2,4-dione
SMILESCCc1c(O)n(-c2cnn(CC)c2)c(=O)[nH]c1=O
InChIInChI=1S/C11H14N4O3/c1-3-8-9(16)13-11(18)15(10(8)17)7-5-12-14(4-2)6-7/h5-6,17H,3-4H2,1-2H3,(H,13,16,18)
InChIKeyHJYYAGWSMJKLHS-UHFFFAOYSA-N
XLogP0.01
TPSA92.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-ethylpyrazol-4-yl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112599405
1-(3,5-dimethoxyphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115946249
1-(4-bromo-3-methylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112598961
3-(1-ethylpyrazol-4-yl)-1H-imidazol-2-one
CID 103125244
5-ethyl-1-(3-fluoro-4-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione
CID 115946769
5-ethyl-6-hydroxy-1-(2,4,5-trifluorophenyl)pyrimidine-2,4-dione
CID 115947928
1-decyl-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115948792
1-(4-chloro-3-nitrophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 107812190
1-(2,3-dimethylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112598557
5-ethyl-1-(4-fluoro-2-methylphenyl)-6-hydroxypyrimidine-2,4-dione
CID 112598321
5-ethyl-6-hydroxy-1-(1-phenylethyl)pyrimidine-2,4-dione
CID 112598276
5-ethyl-6-hydroxy-1-pentan-3-ylpyrimidine-2,4-dione
CID 112598462

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(1-ethylpyrazol-4-yl)-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-1-(1-ethylpyrazol-4-yl)-6-hydroxypyrimidine-2,4-dione (CID 112599407) is 5-ethyl-1-(1-ethylpyrazol-4-yl)-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-1-(1-ethylpyrazol-4-yl)-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-1-(1-ethylpyrazol-4-yl)-6-hydroxypyrimidine-2,4-dione is CCc1c(O)n(-c2cnn(CC)c2)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-1-(1-ethylpyrazol-4-yl)-6-hydroxypyrimidine-2,4-dione?
The InChIKey is HJYYAGWSMJKLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-3-8-9(16)13-11(18)15(10(8)17)7-5-12-14(4-2)6-7/h5-6,17H,3-4H2,1-2H3,(H,13,16,18).
What are the key properties of 5-ethyl-1-(1-ethylpyrazol-4-yl)-6-hydroxypyrimidine-2,4-dione?
5-ethyl-1-(1-ethylpyrazol-4-yl)-6-hydroxypyrimidine-2,4-dione has a molecular weight of 250.26 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(1-ethylpyrazol-4-yl)-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 112599407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).