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

C11H16N2O3 — CID 112599311

IUPAC1-(1-cyclopropylethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
SMILESCCc1c(O)n(C(C)C2CC2)c(=O)[nH]c1=O
InChIInChI=1S/C11H16N2O3/c1-3-8-9(14)12-11(16)13(10(8)15)6(2)7-4-5-7/h6-7,15H,3-5H2,1-2H3,(H,12,14,16)
InChIKeyXGKRUALECJLSAY-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.78
Rot. Bonds3

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

1-(1-cyclopropylethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione (PubChem CID 112599311) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
PubChem CID112599311
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name1-(1-cyclopropylethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
SMILESCCc1c(O)n(C(C)C2CC2)c(=O)[nH]c1=O
InChIInChI=1S/C11H16N2O3/c1-3-8-9(14)12-11(16)13(10(8)15)6(2)7-4-5-7/h6-7,15H,3-5H2,1-2H3,(H,12,14,16)
InChIKeyXGKRUALECJLSAY-UHFFFAOYSA-N
XLogP0.78
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-6-hydroxy-1-pentan-3-ylpyrimidine-2,4-dione
CID 112598462
2-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanamide
CID 112599391
5-ethyl-6-hydroxy-1-(6-methylheptan-2-yl)pyrimidine-2,4-dione
CID 112600250
5-ethyl-6-hydroxy-1-(1-phenylethyl)pyrimidine-2,4-dione
CID 112598276
5-ethyl-6-hydroxy-1-(1-piperidin-1-ylpropan-2-yl)pyrimidine-2,4-dione
CID 115947730
1-(1-cyclohexylethyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112600523
methyl 2-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)-4-methylpentanoate
CID 115947446
1-(1,1-dioxothian-4-yl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112599467
5-ethyl-6-hydroxy-1-(3-methylcyclopentyl)pyrimidine-2,4-dione
CID 114542387
5-ethyl-6-hydroxy-1-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-2,4-dione
CID 115948535
1-(cyclopentylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112599268
1-[1-(3-chlorophenyl)ethyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115947480

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-(1-cyclopropylethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione (CID 112599311) is 1-(1-cyclopropylethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-(1-cyclopropylethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-(1-cyclopropylethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione is CCc1c(O)n(C(C)C2CC2)c(=O)[nH]c1=O.
What is the InChIKey of 1-(1-cyclopropylethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione?
The InChIKey is XGKRUALECJLSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-3-8-9(14)12-11(16)13(10(8)15)6(2)7-4-5-7/h6-7,15H,3-5H2,1-2H3,(H,12,14,16).
What are the key properties of 1-(1-cyclopropylethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione?
1-(1-cyclopropylethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione has a molecular weight of 224.26 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 112599311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).