1-[5-(hydroxymethyl)-4-methoxy-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one

C12H18N2O4 — CID 123814286

IUPAC1-[5-(hydroxymethyl)-4-methoxy-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one
SMILESC=C1NC(=O)C=CN1C1OC(CO)C(OC)C1C
InChIInChI=1S/C12H18N2O4/c1-7-11(17-3)9(6-15)18-12(7)14-5-4-10(16)13-8(14)2/h4-5,7,9,11-12,15H,2,6H2,1,3H3,(H,13,16)
InChIKeyWTKNWIBDICYMHM-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.23
Rot. Bonds3

About 1-[5-(hydroxymethyl)-4-methoxy-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one

1-[5-(hydroxymethyl)-4-methoxy-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one (PubChem CID 123814286) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-[5-(hydroxymethyl)-4-methoxy-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one.

Molecular Properties

Compound Name1-[5-(hydroxymethyl)-4-methoxy-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one
PubChem CID123814286
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name1-[5-(hydroxymethyl)-4-methoxy-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one
SMILESC=C1NC(=O)C=CN1C1OC(CO)C(OC)C1C
InChIInChI=1S/C12H18N2O4/c1-7-11(17-3)9(6-15)18-12(7)14-5-4-10(16)13-8(14)2/h4-5,7,9,11-12,15H,2,6H2,1,3H3,(H,13,16)
InChIKeyWTKNWIBDICYMHM-UHFFFAOYSA-N
XLogP-0.23
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one
CID 159440392
[(2R,3S,4R)-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 90224439
1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one
CID 122488489
3-[4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1,2-dihydropyrimidin-6-one
CID 123889381
1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one
CID 118491141
[[(2R,4S,5R)-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,4S,5S)-4-(dimethylamino)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate
CID 88956585
1-[(2R,3R,4R,5R)-3-chloro-5-cyclopropyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one
CID 126759327
1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-propan-2-yloxolan-2-yl]-2-methylidenepyrimidin-4-one
CID 121430158
1-[(2R,3R,4S,5R)-5-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one
CID 158614342
[(2R,4S,5R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfanyloxan-2-yl] [[(2R,4S,5R)-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate
CID 90838105
1-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)-5-(methylsulfanylmethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one
CID 126759328
1-[(2R,3S,5R)-4-[[(1R,3S,3aS)-3-[[methyl(diphenyl)silyl]methyl]-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]oxazaphosphol-1-yl]oxy]-5-ethyl-3-methoxyoxolan-2-yl]-2-methylidenepyrimidin-4-one
CID 157083027

Frequently Asked Questions

What is the IUPAC name of 1-[5-(hydroxymethyl)-4-methoxy-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one?
The IUPAC name of 1-[5-(hydroxymethyl)-4-methoxy-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one (CID 123814286) is 1-[5-(hydroxymethyl)-4-methoxy-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one.
What is the SMILES notation for 1-[5-(hydroxymethyl)-4-methoxy-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one?
The canonical SMILES for 1-[5-(hydroxymethyl)-4-methoxy-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one is C=C1NC(=O)C=CN1C1OC(CO)C(OC)C1C.
What is the InChIKey of 1-[5-(hydroxymethyl)-4-methoxy-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one?
The InChIKey is WTKNWIBDICYMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-7-11(17-3)9(6-15)18-12(7)14-5-4-10(16)13-8(14)2/h4-5,7,9,11-12,15H,2,6H2,1,3H3,(H,13,16).
What are the key properties of 1-[5-(hydroxymethyl)-4-methoxy-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one?
1-[5-(hydroxymethyl)-4-methoxy-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one has a molecular weight of 254.29 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(hydroxymethyl)-4-methoxy-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one is sourced from PubChem (CID 123814286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).