1-[[(2R,3R,5R)-3-hydroxy-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]methyl]-5-methylpyrimidine-2,4-dione

C12H18N2O6 — CID 10850752

IUPAC1-[[(2R,3R,5R)-3-hydroxy-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]methyl]-5-methylpyrimidine-2,4-dione
SMILESCO[C@H]1C[C@@](O)(Cn2cc(C)c(=O)[nH]c2=O)[C@@H](CO)O1
InChIInChI=1S/C12H18N2O6/c1-7-4-14(11(17)13-10(7)16)6-12(18)3-9(19-2)20-8(12)5-15/h4,8-9,15,18H,3,5-6H2,1-2H3,(H,13,16,17)/t8-,9-,12-/m1/s1
InChIKeyJJJIXEIPLYKQQV-KBVBSXBZSA-N
MW286.28 g/mol
LogP-1.67
Rot. Bonds4

About 1-[[(2R,3R,5R)-3-hydroxy-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]methyl]-5-methylpyrimidine-2,4-dione

1-[[(2R,3R,5R)-3-hydroxy-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]methyl]-5-methylpyrimidine-2,4-dione (PubChem CID 10850752) has the molecular formula C12H18N2O6 and a molecular weight of 286.28 g/mol. Its IUPAC name is 1-[[(2R,3R,5R)-3-hydroxy-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]methyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[[(2R,3R,5R)-3-hydroxy-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]methyl]-5-methylpyrimidine-2,4-dione
PubChem CID10850752
Molecular FormulaC12H18N2O6
Molecular Weight286.28 g/mol
Exact Mass286.12
IUPAC Name1-[[(2R,3R,5R)-3-hydroxy-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]methyl]-5-methylpyrimidine-2,4-dione
SMILESCO[C@H]1C[C@@](O)(Cn2cc(C)c(=O)[nH]c2=O)[C@@H](CO)O1
InChIInChI=1S/C12H18N2O6/c1-7-4-14(11(17)13-10(7)16)6-12(18)3-9(19-2)20-8(12)5-15/h4,8-9,15,18H,3,5-6H2,1-2H3,(H,13,16,17)/t8-,9-,12-/m1/s1
InChIKeyJJJIXEIPLYKQQV-KBVBSXBZSA-N
XLogP-1.67
TPSA113.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 5-1.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[[(2R,3R,5R)-3-hydroxy-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]methyl]-5-methylpyrimidine-2,4-dione with MolForge

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Related Compounds

1-[(2R,4R,5R)-4-(aminomethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 22881706
methyl (2S,3R,5S)-2-(hydroxymethyl)-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-3-carboxylate
CID 25061748
methyl (2S)-2-(hydroxymethyl)-3-methyl-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-3-carboxylate
CID 59278881
1-[4-acetyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 22555905
1-[[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-5-methylpyrimidine-2,4-dione
CID 10801040
1-[(2R,5S)-4,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 59278856
1-[(2R,4R,5R)-4-(2,2-dimethylpropanoyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 10639816
1-[(5S)-5-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 71028658
1-[(1R,2R,4S,5S)-1-hydroxy-2-(hydroxymethyl)-3,6-dioxabicyclo[3.2.0]heptan-4-yl]-5-methylpyrimidine-2,4-dione
CID 11242666
1-[3-fluoro-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 91136916
1-[[(1S,2R,4R)-2-hydroxy-4-(hydroxymethyl)cyclobutyl]methyl]-5-methylpyrimidine-2,4-dione
CID 11447810
1-[(2S,3S,5R)-3-(dimethylamino)-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 100955555

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R,3R,5R)-3-hydroxy-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]methyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[[(2R,3R,5R)-3-hydroxy-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]methyl]-5-methylpyrimidine-2,4-dione (CID 10850752) is 1-[[(2R,3R,5R)-3-hydroxy-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]methyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[[(2R,3R,5R)-3-hydroxy-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]methyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[[(2R,3R,5R)-3-hydroxy-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]methyl]-5-methylpyrimidine-2,4-dione is CO[C@H]1C[C@@](O)(Cn2cc(C)c(=O)[nH]c2=O)[C@@H](CO)O1.
What is the InChIKey of 1-[[(2R,3R,5R)-3-hydroxy-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]methyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is JJJIXEIPLYKQQV-KBVBSXBZSA-N. The full InChI is InChI=1S/C12H18N2O6/c1-7-4-14(11(17)13-10(7)16)6-12(18)3-9(19-2)20-8(12)5-15/h4,8-9,15,18H,3,5-6H2,1-2H3,(H,13,16,17)/t8-,9-,12-/m1/s1.
What are the key properties of 1-[[(2R,3R,5R)-3-hydroxy-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]methyl]-5-methylpyrimidine-2,4-dione?
1-[[(2R,3R,5R)-3-hydroxy-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]methyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 286.28 g/mol, XLogP of -1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R,3R,5R)-3-hydroxy-2-(hydroxymethyl)-5-methoxyoxolan-3-yl]methyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 10850752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).