1-[5-(2-hydroxyethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione

C11H16N2O5 — CID 139418563

IUPAC1-[5-(2-hydroxyethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione
SMILESCOc1cn(C2CCC(CCO)O2)c(=O)[nH]c1=O
InChIInChI=1S/C11H16N2O5/c1-17-8-6-13(11(16)12-10(8)15)9-3-2-7(18-9)4-5-14/h6-7,9,14H,2-5H2,1H3,(H,12,15,16)
InChIKeyCAWCNGCPLDQRAO-UHFFFAOYSA-N
MW256.26 g/mol
LogP-0.39
Rot. Bonds4

About 1-[5-(2-hydroxyethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione

1-[5-(2-hydroxyethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione (PubChem CID 139418563) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is 1-[5-(2-hydroxyethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[5-(2-hydroxyethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione
PubChem CID139418563
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name1-[5-(2-hydroxyethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione
SMILESCOc1cn(C2CCC(CCO)O2)c(=O)[nH]c1=O
InChIInChI=1S/C11H16N2O5/c1-17-8-6-13(11(16)12-10(8)15)9-3-2-7(18-9)4-5-14/h6-7,9,14H,2-5H2,1H3,(H,12,15,16)
InChIKeyCAWCNGCPLDQRAO-UHFFFAOYSA-N
XLogP-0.39
TPSA93.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione
CID 169201537
methanol;methyl 2-[1-[5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyacetate
CID 169201569
1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol
CID 178082493
1-[5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;sulfanol
CID 177038919
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;2H-triazole
CID 67930071
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hypoiodite
CID 170193041
methanethiol;[5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxythallium
CID 142985854
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxyphosphinous acid
CID 166965850
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione;methanol
CID 178033550
1-[(2R,4S,5R)-5-ethenyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione
CID 170173151
1-(5-ethyloxolan-2-yl)-5-fluoropyrimidine-2,4-dione
CID 142167597
5-(1,3-dioxolan-2-yl)-1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 70925341

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-hydroxyethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione?
The IUPAC name of 1-[5-(2-hydroxyethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione (CID 139418563) is 1-[5-(2-hydroxyethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione.
What is the SMILES notation for 1-[5-(2-hydroxyethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione?
The canonical SMILES for 1-[5-(2-hydroxyethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione is COc1cn(C2CCC(CCO)O2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[5-(2-hydroxyethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione?
The InChIKey is CAWCNGCPLDQRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-17-8-6-13(11(16)12-10(8)15)9-3-2-7(18-9)4-5-14/h6-7,9,14H,2-5H2,1H3,(H,12,15,16).
What are the key properties of 1-[5-(2-hydroxyethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione?
1-[5-(2-hydroxyethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione has a molecular weight of 256.26 g/mol, XLogP of -0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-hydroxyethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione is sourced from PubChem (CID 139418563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).