1-[4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione

C13H20N2O5 — CID 59957186

IUPAC1-[4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCOCC1OC(n2cc(C)c(=O)[nH]c2=O)C(C)C1OC
InChIInChI=1S/C13H20N2O5/c1-7-5-15(13(17)14-11(7)16)12-8(2)10(19-4)9(20-12)6-18-3/h5,8-10,12H,6H2,1-4H3,(H,14,16,17)
InChIKeyWJTPLHDPEATXFO-UHFFFAOYSA-N
MW284.31 g/mol
LogP0.04
Rot. Bonds4

About 1-[4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione

1-[4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 59957186) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is 1-[4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID59957186
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name1-[4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCOCC1OC(n2cc(C)c(=O)[nH]c2=O)C(C)C1OC
InChIInChI=1S/C13H20N2O5/c1-7-5-15(13(17)14-11(7)16)12-8(2)10(19-4)9(20-12)6-18-3/h5,8-10,12H,6H2,1-4H3,(H,14,16,17)
InChIKeyWJTPLHDPEATXFO-UHFFFAOYSA-N
XLogP0.04
TPSA82.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-1-[4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidin-2-one;1-[4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 159514642
4-[(2R,3S,5R)-4-methoxy-5-(methoxymethyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-4-oxobutanoic acid
CID 90136209
1-[(2S,4R,5S)-4-hydroxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 90702057
1-[(4S,5R)-4-hydroxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 68952088
1-[(2R,5S)-4,5-bis(hydroxymethyl)-3-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;methane
CID 163539028
1-[5-(aminomethyl)-4-hydroxy-3-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 155887099
ethane;1-[5-(hydroxymethyl)-3-(2-methoxyethoxy)-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 170577941
(2S,3S,4R,5R)-4-(2-methoxyethoxy)-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde
CID 89476276
1-[(2R,4S,5S)-5-(methoxymethyl)-4-(methylideneamino)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 122535836
[(2R,5R)-3,4-diacetyloxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
CID 70861016
2-[(2R,3R,4R,5R)-3,4-dimethoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]-N-methylethanesulfonamide
CID 167509202
1-[(2R,4S,5S)-4-tert-butyl-5-(hydroxymethyl)-3-(2-methoxyethoxy)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 171403801

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione (CID 59957186) is 1-[4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione is COCC1OC(n2cc(C)c(=O)[nH]c2=O)C(C)C1OC.
What is the InChIKey of 1-[4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is WJTPLHDPEATXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-7-5-15(13(17)14-11(7)16)12-8(2)10(19-4)9(20-12)6-18-3/h5,8-10,12H,6H2,1-4H3,(H,14,16,17).
What are the key properties of 1-[4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione?
1-[4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 284.31 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 59957186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).