5-methyl-1-[(2R,4S,5R)-2,3,3,4-tetradeuterio-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

C10H14N2O5 — CID 153342797

IUPAC5-methyl-1-[(2R,4S,5R)-2,3,3,4-tetradeuterio-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILES[2H]C1([2H])[C@]([2H])(n2cc(C)c(=O)[nH]c2=O)O[C@H](CO)[C@@]1([2H])O
InChIInChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1/i2D2,6D,8D
InChIKeyIQFYYKKMVGJFEH-XLDCYBRKSA-N
MW246.26 g/mol
LogP-1.51
Rot. Bonds2

About 5-methyl-1-[(2R,4S,5R)-2,3,3,4-tetradeuterio-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

5-methyl-1-[(2R,4S,5R)-2,3,3,4-tetradeuterio-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 153342797) has the molecular formula C10H14N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is 5-methyl-1-[(2R,4S,5R)-2,3,3,4-tetradeuterio-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[(2R,4S,5R)-2,3,3,4-tetradeuterio-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
PubChem CID153342797
Molecular FormulaC10H14N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name5-methyl-1-[(2R,4S,5R)-2,3,3,4-tetradeuterio-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILES[2H]C1([2H])[C@]([2H])(n2cc(C)c(=O)[nH]c2=O)O[C@H](CO)[C@@]1([2H])O
InChIInChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1/i2D2,6D,8D
InChIKeyIQFYYKKMVGJFEH-XLDCYBRKSA-N
XLogP-1.51
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2R,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-5-methyl(1,3-15N2)pyrimidine-2,4-dione
CID 118855773
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;methane
CID 174884873
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;mercury
CID 174898498
1-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 6473775
1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 139024626
1-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 7282395
1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-sulfanylideneoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 22868514
5-methyl-1-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione
CID 7300708
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;isothiocyanic acid
CID 172815455
dihydroxy(oxo)phosphanium;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 67825426
1-[3,4-bis(hydroxymethyl)oxetan-2-yl]-5-methylpyrimidine-2,4-dione
CID 23353423
1-[(2R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 163573079

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(2R,4S,5R)-2,3,3,4-tetradeuterio-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-[(2R,4S,5R)-2,3,3,4-tetradeuterio-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione (CID 153342797) is 5-methyl-1-[(2R,4S,5R)-2,3,3,4-tetradeuterio-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[(2R,4S,5R)-2,3,3,4-tetradeuterio-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[(2R,4S,5R)-2,3,3,4-tetradeuterio-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is [2H]C1([2H])[C@]([2H])(n2cc(C)c(=O)[nH]c2=O)O[C@H](CO)[C@@]1([2H])O.
What is the InChIKey of 5-methyl-1-[(2R,4S,5R)-2,3,3,4-tetradeuterio-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is IQFYYKKMVGJFEH-XLDCYBRKSA-N. The full InChI is InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1/i2D2,6D,8D.
What are the key properties of 5-methyl-1-[(2R,4S,5R)-2,3,3,4-tetradeuterio-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
5-methyl-1-[(2R,4S,5R)-2,3,3,4-tetradeuterio-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 246.26 g/mol, XLogP of -1.51, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(2R,4S,5R)-2,3,3,4-tetradeuterio-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 153342797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).