methanol;methyl 2-[1-[5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyacetate

C13H20N2O8 — CID 169201569

IUPACmethanol;methyl 2-[1-[5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyacetate
SMILESCO.COC(=O)COc1cn(C2CCC(CO)O2)c(=O)[nH]c1=O
InChIInChI=1S/C12H16N2O7.CH4O/c1-19-10(16)6-20-8-4-14(12(18)13-11(8)17)9-3-2-7(5-15)21-9;1-2/h4,7,9,15H,2-3,5-6H2,1H3,(H,13,17,18);2H,1H3
InChIKeyZYELMADURWJNRH-UHFFFAOYSA-N
MW332.31 g/mol
LogP-1.63
Rot. Bonds5

About methanol;methyl 2-[1-[5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyacetate

methanol;methyl 2-[1-[5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyacetate (PubChem CID 169201569) has the molecular formula C13H20N2O8 and a molecular weight of 332.31 g/mol. Its IUPAC name is methanol;methyl 2-[1-[5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyacetate.

Molecular Properties

Compound Namemethanol;methyl 2-[1-[5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyacetate
PubChem CID169201569
Molecular FormulaC13H20N2O8
Molecular Weight332.31 g/mol
Exact Mass332.12
IUPAC Namemethanol;methyl 2-[1-[5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyacetate
SMILESCO.COC(=O)COc1cn(C2CCC(CO)O2)c(=O)[nH]c1=O
InChIInChI=1S/C12H16N2O7.CH4O/c1-19-10(16)6-20-8-4-14(12(18)13-11(8)17)9-3-2-7(5-15)21-9;1-2/h4,7,9,15H,2-3,5-6H2,1H3,(H,13,17,18);2H,1H3
InChIKeyZYELMADURWJNRH-UHFFFAOYSA-N
XLogP-1.63
TPSA140.08 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 5-1.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

1-[5-(hydroxymethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione
CID 169201537
1-[5-(2-hydroxyethyl)oxolan-2-yl]-5-methoxypyrimidine-2,4-dione
CID 139418563
1-[5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;sulfanol
CID 177038919
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione;methanol
CID 178033550
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;2H-triazole
CID 67930071
5-(1,3-dioxolan-2-yl)-1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 70925341
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-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol
CID 178082525
2-[2,4-dioxo-1-[(2R)-5-pentan-2-yloxolan-2-yl]pyrimidin-5-yl]oxyacetic acid
CID 174012917
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl propanoate
CID 67831429
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
2-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyacetamide
CID 90673698

Frequently Asked Questions

What is the IUPAC name of methanol;methyl 2-[1-[5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyacetate?
The IUPAC name of methanol;methyl 2-[1-[5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyacetate (CID 169201569) is methanol;methyl 2-[1-[5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyacetate.
What is the SMILES notation for methanol;methyl 2-[1-[5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyacetate?
The canonical SMILES for methanol;methyl 2-[1-[5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyacetate is CO.COC(=O)COc1cn(C2CCC(CO)O2)c(=O)[nH]c1=O.
What is the InChIKey of methanol;methyl 2-[1-[5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyacetate?
The InChIKey is ZYELMADURWJNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O7.CH4O/c1-19-10(16)6-20-8-4-14(12(18)13-11(8)17)9-3-2-7(5-15)21-9;1-2/h4,7,9,15H,2-3,5-6H2,1H3,(H,13,17,18);2H,1H3.
What are the key properties of methanol;methyl 2-[1-[5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyacetate?
methanol;methyl 2-[1-[5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyacetate has a molecular weight of 332.31 g/mol, XLogP of -1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;methyl 2-[1-[5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]oxyacetate is sourced from PubChem (CID 169201569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).