1-[4,5-bis(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

C12H18N2O5 — CID 123691114

IUPAC1-[4,5-bis(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESCOCC1CC(n2ccc(=O)[nH]c2=O)OC1COC
InChIInChI=1S/C12H18N2O5/c1-17-6-8-5-11(19-9(8)7-18-2)14-4-3-10(15)13-12(14)16/h3-4,8-9,11H,5-7H2,1-2H3,(H,13,15,16)
InChIKeySXYVQQCGYBSCEM-UHFFFAOYSA-N
MW270.28 g/mol
LogP-0.27
Rot. Bonds5

About 1-[4,5-bis(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

1-[4,5-bis(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 123691114) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is 1-[4,5-bis(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[4,5-bis(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
PubChem CID123691114
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name1-[4,5-bis(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESCOCC1CC(n2ccc(=O)[nH]c2=O)OC1COC
InChIInChI=1S/C12H18N2O5/c1-17-6-8-5-11(19-9(8)7-18-2)14-4-3-10(15)13-12(14)16/h3-4,8-9,11H,5-7H2,1-2H3,(H,13,15,16)
InChIKeySXYVQQCGYBSCEM-UHFFFAOYSA-N
XLogP-0.27
TPSA82.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2R,5R)-4,5-diethyloxolan-2-yl]pyrimidine-2,4-dione
CID 58159388
[5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]methyl acetate
CID 123607288
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)(4,5-13C2)oxolan-2-yl]pyrimidine-2,4-dione
CID 11183813
1-[(4R,5S)-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 6427735
1-[(2R,4S,5R)-5-(ethoxymethyl)-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 22837617
1-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 14562102
1-[(2R,4S,5R)-4-hydroxy-5-(sulfanyloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 18396706
1-[(2R,5S)-2-(methoxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione
CID 134259432
methanol;1-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 145071309
[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-methylsulfonyloxyoxolan-2-yl]methyl methanesulfonate
CID 11246083
1-[(2R,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 21120134
1-[(2S,5S)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 57303965

Frequently Asked Questions

What is the IUPAC name of 1-[4,5-bis(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[4,5-bis(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione (CID 123691114) is 1-[4,5-bis(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[4,5-bis(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[4,5-bis(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is COCC1CC(n2ccc(=O)[nH]c2=O)OC1COC.
What is the InChIKey of 1-[4,5-bis(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is SXYVQQCGYBSCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5/c1-17-6-8-5-11(19-9(8)7-18-2)14-4-3-10(15)13-12(14)16/h3-4,8-9,11H,5-7H2,1-2H3,(H,13,15,16).
What are the key properties of 1-[4,5-bis(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
1-[4,5-bis(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 270.28 g/mol, XLogP of -0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,5-bis(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 123691114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).