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

C10H14N2O5 — CID 169201537

IUPAC1-[5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione
SMILESCOc1cn(C2CCC(CO)O2)c(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O5/c1-16-7-4-12(10(15)11-9(7)14)8-3-2-6(5-13)17-8/h4,6,8,13H,2-3,5H2,1H3,(H,11,14,15)
InChIKeyJZILTFNDOXBMFA-UHFFFAOYSA-N
MW242.23 g/mol
LogP-0.78
Rot. Bonds3

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

1-[5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione (PubChem CID 169201537) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is 1-[5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione
PubChem CID169201537
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Name1-[5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione
SMILESCOc1cn(C2CCC(CO)O2)c(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O5/c1-16-7-4-12(10(15)11-9(7)14)8-3-2-6(5-13)17-8/h4,6,8,13H,2-3,5H2,1H3,(H,11,14,15)
InChIKeyJZILTFNDOXBMFA-UHFFFAOYSA-N
XLogP-0.78
TPSA93.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(2-hydroxyethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione
CID 139418563
methanol;methyl 2-[1-[5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyacetate
CID 169201569
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
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione;methanol
CID 178033550
5-(1,3-dioxolan-2-yl)-1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 70925341
1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol
CID 178082525
4-O-ethyl 1-O-methyl (Z)-2-[1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]but-2-enedioate
CID 5274013
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;5-methyl-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 70261386
[(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

Frequently Asked Questions

What is the IUPAC name of 1-[5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione?
The IUPAC name of 1-[5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione (CID 169201537) is 1-[5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione.
What is the SMILES notation for 1-[5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione?
The canonical SMILES for 1-[5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione is COc1cn(C2CCC(CO)O2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione?
The InChIKey is JZILTFNDOXBMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5/c1-16-7-4-12(10(15)11-9(7)14)8-3-2-6(5-13)17-8/h4,6,8,13H,2-3,5H2,1H3,(H,11,14,15).
What are the key properties of 1-[5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione?
1-[5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione has a molecular weight of 242.23 g/mol, XLogP of -0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione is sourced from PubChem (CID 169201537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).