5-ethyl-6-hydroxy-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione

C10H14N2O3 — CID 114619425

IUPAC5-ethyl-6-hydroxy-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione
SMILESC=C(C)Cn1c(O)c(CC)c(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O3/c1-4-7-8(13)11-10(15)12(9(7)14)5-6(2)3/h14H,2,4-5H2,1,3H3,(H,11,13,15)
InChIKeyKRYYNHSLJWYTQU-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.38
Rot. Bonds3

About 5-ethyl-6-hydroxy-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione

5-ethyl-6-hydroxy-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione (PubChem CID 114619425) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 5-ethyl-6-hydroxy-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-6-hydroxy-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione
PubChem CID114619425
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name5-ethyl-6-hydroxy-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione
SMILESC=C(C)Cn1c(O)c(CC)c(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O3/c1-4-7-8(13)11-10(15)12(9(7)14)5-6(2)3/h14H,2,4-5H2,1,3H3,(H,11,13,15)
InChIKeyKRYYNHSLJWYTQU-UHFFFAOYSA-N
XLogP0.38
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-decyl-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115948792
5-ethyl-6-hydroxy-1-(2-methylsulfonylethyl)pyrimidine-2,4-dione
CID 112599612
1-(cyclopentylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112599268
5-ethyl-1-[(4-ethylcyclohexyl)methyl]-6-hydroxypyrimidine-2,4-dione
CID 115947652
methyl 3-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanoate
CID 112599658
5-ethyl-1-[2-(4-fluorophenyl)ethyl]-6-hydroxypyrimidine-2,4-dione
CID 115946414
1-[(2-bromophenyl)methyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112600325
1-(3-cyclopentylpropyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 106006233
5-ethyl-6-hydroxy-1-pentan-3-ylpyrimidine-2,4-dione
CID 112598462
5-ethyl-6-hydroxy-1-[(2-methylthiolan-2-yl)methyl]pyrimidine-2,4-dione
CID 112601402
5-ethyl-6-hydroxy-1-(1-methylcyclopentyl)pyrimidine-2,4-dione
CID 112601046
5-ethyl-6-hydroxy-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione
CID 112600120

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-hydroxy-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-6-hydroxy-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione (CID 114619425) is 5-ethyl-6-hydroxy-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-6-hydroxy-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-6-hydroxy-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione is C=C(C)Cn1c(O)c(CC)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-6-hydroxy-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione?
The InChIKey is KRYYNHSLJWYTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-4-7-8(13)11-10(15)12(9(7)14)5-6(2)3/h14H,2,4-5H2,1,3H3,(H,11,13,15).
What are the key properties of 5-ethyl-6-hydroxy-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione?
5-ethyl-6-hydroxy-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione has a molecular weight of 210.23 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-hydroxy-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione is sourced from PubChem (CID 114619425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).