1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one

C10H14N2O5 — CID 159440392

IUPAC1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one
SMILESC=C1NC(=O)C=CN1[C@@H]1O[C@H](CO)[C@H](O)C1O
InChIInChI=1S/C10H14N2O5/c1-5-11-7(14)2-3-12(5)10-9(16)8(15)6(4-13)17-10/h2-3,6,8-10,13,15-16H,1,4H2,(H,11,14)/t6-,8+,9?,10-/m1/s1
InChIKeyKJZMZZMNRVGMEX-UKUJCULDSA-N
MW242.23 g/mol
LogP-2.16
Rot. Bonds2

About 1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one

1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one (PubChem CID 159440392) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is 1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one.

Molecular Properties

Compound Name1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one
PubChem CID159440392
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Name1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one
SMILESC=C1NC(=O)C=CN1[C@@H]1O[C@H](CO)[C@H](O)C1O
InChIInChI=1S/C10H14N2O5/c1-5-11-7(14)2-3-12(5)10-9(16)8(15)6(4-13)17-10/h2-3,6,8-10,13,15-16H,1,4H2,(H,11,14)/t6-,8+,9?,10-/m1/s1
InChIKeyKJZMZZMNRVGMEX-UKUJCULDSA-N
XLogP-2.16
TPSA102.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-2.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one with MolForge

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Related Compounds

[(2R,3S,4R)-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 90224439
1-[5-(hydroxymethyl)-4-methoxy-3-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one
CID 123814286
[(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
[[(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,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-2-methylidenepyrimidin-4-one
CID 122488489
1-[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione
CID 98044344
1-[(2R,3R,4S,5R)-5-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one
CID 158614342
[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[3-[2-(3-hydroxypropoxy)ethoxy]propanoylamino]oxan-2-yl] [[3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl] phosphate
CID 91047555
[(2S,4S)-4-amino-3-hydroxy-6-methyloxan-2-yl] [[(2R,4S,5R)-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphate
CID 58937771
1-[(2R,3R,4R,5R)-3-chloro-5-cyclopropyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one
CID 126759327
3-amino-1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-iminopyridin-2-one
CID 126578665
N-[(2S,4R,5R)-2-[[[3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-methylphosphoryl]oxy-methylphosphoryl]oxy-6-ethyl-4,5-dihydroxyoxan-3-yl]acetamide
CID 59783036

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one?
The IUPAC name of 1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one (CID 159440392) is 1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one.
What is the SMILES notation for 1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one?
The canonical SMILES for 1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one is C=C1NC(=O)C=CN1[C@@H]1O[C@H](CO)[C@H](O)C1O.
What is the InChIKey of 1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one?
The InChIKey is KJZMZZMNRVGMEX-UKUJCULDSA-N. The full InChI is InChI=1S/C10H14N2O5/c1-5-11-7(14)2-3-12(5)10-9(16)8(15)6(4-13)17-10/h2-3,6,8-10,13,15-16H,1,4H2,(H,11,14)/t6-,8+,9?,10-/m1/s1.
What are the key properties of 1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one?
1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one has a molecular weight of 242.23 g/mol, XLogP of -2.16, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one is sourced from PubChem (CID 159440392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).