5-methyl-1-[(2R,4R)-4-(oxan-2-yloxy)-5-oxooxolan-2-yl]pyrimidine-2,4-dione

C14H18N2O6 — CID 11088184

IUPAC5-methyl-1-[(2R,4R)-4-(oxan-2-yloxy)-5-oxooxolan-2-yl]pyrimidine-2,4-dione
SMILESCc1cn([C@H]2C[C@@H](OC3CCCCO3)C(=O)O2)c(=O)[nH]c1=O
InChIInChI=1S/C14H18N2O6/c1-8-7-16(14(19)15-12(8)17)10-6-9(13(18)22-10)21-11-4-2-3-5-20-11/h7,9-11H,2-6H2,1H3,(H,15,17,19)/t9-,10-,11?/m1/s1
InChIKeyADVXYOYRQKLNQU-DIOIDXFWSA-N
MW310.31 g/mol
LogP0.20
Rot. Bonds3

About 5-methyl-1-[(2R,4R)-4-(oxan-2-yloxy)-5-oxooxolan-2-yl]pyrimidine-2,4-dione

5-methyl-1-[(2R,4R)-4-(oxan-2-yloxy)-5-oxooxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 11088184) has the molecular formula C14H18N2O6 and a molecular weight of 310.31 g/mol. Its IUPAC name is 5-methyl-1-[(2R,4R)-4-(oxan-2-yloxy)-5-oxooxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[(2R,4R)-4-(oxan-2-yloxy)-5-oxooxolan-2-yl]pyrimidine-2,4-dione
PubChem CID11088184
Molecular FormulaC14H18N2O6
Molecular Weight310.31 g/mol
Exact Mass310.12
IUPAC Name5-methyl-1-[(2R,4R)-4-(oxan-2-yloxy)-5-oxooxolan-2-yl]pyrimidine-2,4-dione
SMILESCc1cn([C@H]2C[C@@H](OC3CCCCO3)C(=O)O2)c(=O)[nH]c1=O
InChIInChI=1S/C14H18N2O6/c1-8-7-16(14(19)15-12(8)17)10-6-9(13(18)22-10)21-11-4-2-3-5-20-11/h7,9-11H,2-6H2,1H3,(H,15,17,19)/t9-,10-,11?/m1/s1
InChIKeyADVXYOYRQKLNQU-DIOIDXFWSA-N
XLogP0.20
TPSA99.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-methyl-1-[(2R,4R)-4-(oxan-2-yloxy)-5-oxooxolan-2-yl]pyrimidine-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

1-[(5S)-5-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 71028658
1-[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylideneoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 11313759
1-[(2R)-4,5-dihydroxyoxan-2-yl]-5-methylpyrimidine-2,4-dione
CID 25134798
1-[(2R,4S,5R)-4,5-dihydroxyoxan-2-yl]-5-methylpyrimidine-2,4-dione
CID 14079545
1-[(2R,4S,5S)-4-hydroxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 1277936
1-[(2R,4S,5R)-4,5-dihydroxy-6-sulfanylideneoxan-2-yl]-5-methylpyrimidine-2,4-dione
CID 100925330
5-methyl-1-[(2R,3S)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 102041523
(2S,3S,5R)-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde
CID 170212817
1-[(2R,4S,5S)-5-ethoxy-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 15227901
[(2R,5R)-2-(4-methylbenzoyl)oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] 4-methylbenzoate
CID 44661081
1-[(2R,4S,5R)-4-methoxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 142489157
1-[(2R,4S)-4-azidooxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 175883401

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(2R,4R)-4-(oxan-2-yloxy)-5-oxooxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-[(2R,4R)-4-(oxan-2-yloxy)-5-oxooxolan-2-yl]pyrimidine-2,4-dione (CID 11088184) is 5-methyl-1-[(2R,4R)-4-(oxan-2-yloxy)-5-oxooxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[(2R,4R)-4-(oxan-2-yloxy)-5-oxooxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[(2R,4R)-4-(oxan-2-yloxy)-5-oxooxolan-2-yl]pyrimidine-2,4-dione is Cc1cn([C@H]2C[C@@H](OC3CCCCO3)C(=O)O2)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-[(2R,4R)-4-(oxan-2-yloxy)-5-oxooxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is ADVXYOYRQKLNQU-DIOIDXFWSA-N. The full InChI is InChI=1S/C14H18N2O6/c1-8-7-16(14(19)15-12(8)17)10-6-9(13(18)22-10)21-11-4-2-3-5-20-11/h7,9-11H,2-6H2,1H3,(H,15,17,19)/t9-,10-,11?/m1/s1.
What are the key properties of 5-methyl-1-[(2R,4R)-4-(oxan-2-yloxy)-5-oxooxolan-2-yl]pyrimidine-2,4-dione?
5-methyl-1-[(2R,4R)-4-(oxan-2-yloxy)-5-oxooxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 310.31 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(2R,4R)-4-(oxan-2-yloxy)-5-oxooxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 11088184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).