5-ethyl-6-hydroxy-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione

C12H18N2O4 — CID 112600120

IUPAC5-ethyl-6-hydroxy-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione
SMILESCCc1c(O)n(CCC2CCCO2)c(=O)[nH]c1=O
InChIInChI=1S/C12H18N2O4/c1-2-9-10(15)13-12(17)14(11(9)16)6-5-8-4-3-7-18-8/h8,16H,2-7H2,1H3,(H,13,15,17)
InChIKeyCMOSYDKGBWVGST-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.37
Rot. Bonds4

About 5-ethyl-6-hydroxy-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione

5-ethyl-6-hydroxy-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione (PubChem CID 112600120) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-ethyl-6-hydroxy-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-6-hydroxy-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione
PubChem CID112600120
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name5-ethyl-6-hydroxy-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione
SMILESCCc1c(O)n(CCC2CCCO2)c(=O)[nH]c1=O
InChIInChI=1S/C12H18N2O4/c1-2-9-10(15)13-12(17)14(11(9)16)6-5-8-4-3-7-18-8/h8,16H,2-7H2,1H3,(H,13,15,17)
InChIKeyCMOSYDKGBWVGST-UHFFFAOYSA-N
XLogP0.37
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-cyclopentylpropyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 106006233
1-(cyclopentylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112599268
1-decyl-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115948792
5-ethyl-1-[(4-ethylcyclohexyl)methyl]-6-hydroxypyrimidine-2,4-dione
CID 115947652
1-[2-(oxolan-2-yl)ethyl]thieno[3,2-d]pyrimidine-2,4-dione
CID 112750606
N-cyclopropyl-4-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)butanamide
CID 115948702
6-chloro-3-[2-(oxan-2-yl)ethyl]-5-propyl-1H-pyrimidine-2,4-dione
CID 106003024
methyl 3-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanoate
CID 112599658
2,4-dioxo-1-[2-(oxolan-2-yl)ethyl]pyrimidine-5-carboxylic acid
CID 79874687
5-ethyl-1-[2-(4-fluorophenyl)ethyl]-6-hydroxypyrimidine-2,4-dione
CID 115946414
5-ethyl-6-hydroxy-1-[(2-methylthiolan-2-yl)methyl]pyrimidine-2,4-dione
CID 112601402
3,6-dimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione
CID 64967006

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-hydroxy-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-6-hydroxy-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione (CID 112600120) is 5-ethyl-6-hydroxy-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-6-hydroxy-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-6-hydroxy-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione is CCc1c(O)n(CCC2CCCO2)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-6-hydroxy-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione?
The InChIKey is CMOSYDKGBWVGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-2-9-10(15)13-12(17)14(11(9)16)6-5-8-4-3-7-18-8/h8,16H,2-7H2,1H3,(H,13,15,17).
What are the key properties of 5-ethyl-6-hydroxy-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione?
5-ethyl-6-hydroxy-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione has a molecular weight of 254.29 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-hydroxy-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 112600120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).