1-[(5S)-5-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione

C10H14N2O4 — CID 71028658

IUPAC1-[(5S)-5-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCO[C@@H]1CCC(n2cc(C)c(=O)[nH]c2=O)O1
InChIInChI=1S/C10H14N2O4/c1-6-5-12(10(14)11-9(6)13)7-3-4-8(15-2)16-7/h5,7-8H,3-4H2,1-2H3,(H,11,13,14)/t7?,8-/m0/s1
InChIKeyBOGWEPJBZZQGBF-MQWKRIRWSA-N
MW226.23 g/mol
LogP0.13
Rot. Bonds2

About 1-[(5S)-5-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione

1-[(5S)-5-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 71028658) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 1-[(5S)-5-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(5S)-5-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID71028658
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name1-[(5S)-5-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCO[C@@H]1CCC(n2cc(C)c(=O)[nH]c2=O)O1
InChIInChI=1S/C10H14N2O4/c1-6-5-12(10(14)11-9(6)13)7-3-4-8(15-2)16-7/h5,7-8H,3-4H2,1-2H3,(H,11,13,14)/t7?,8-/m0/s1
InChIKeyBOGWEPJBZZQGBF-MQWKRIRWSA-N
XLogP0.13
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(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
(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid
CID 11356875
ethane;[(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hypoiodite
CID 142985863
1-[5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;sulfanol
CID 177038919
1-[(2R,4S,5R)-4-methoxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 142489157
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxyphosphinous acid
CID 166965850
[(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 6993211
[5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl phosphate
CID 4319719
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;2H-triazole
CID 67930071
methyl-[[5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinic acid
CID 53436996
[5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-methylpropanoate
CID 164881982

Frequently Asked Questions

What is the IUPAC name of 1-[(5S)-5-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(5S)-5-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione (CID 71028658) is 1-[(5S)-5-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(5S)-5-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(5S)-5-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione is CO[C@@H]1CCC(n2cc(C)c(=O)[nH]c2=O)O1.
What is the InChIKey of 1-[(5S)-5-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is BOGWEPJBZZQGBF-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-6-5-12(10(14)11-9(6)13)7-3-4-8(15-2)16-7/h5,7-8H,3-4H2,1-2H3,(H,11,13,14)/t7?,8-/m0/s1.
What are the key properties of 1-[(5S)-5-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione?
1-[(5S)-5-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 226.23 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5S)-5-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 71028658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).