1-[(2R,3R,4S,5R)-5-(aminomethyl)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione

C11H17N3O6 — CID 102593045

IUPAC1-[(2R,3R,4S,5R)-5-(aminomethyl)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
SMILESCO[C@H]1[C@H](n2ccc(=O)[nH]c2=O)O[C@](CN)(CO)[C@H]1O
InChIInChI=1S/C11H17N3O6/c1-19-7-8(17)11(4-12,5-15)20-9(7)14-3-2-6(16)13-10(14)18/h2-3,7-9,15,17H,4-5,12H2,1H3,(H,13,16,18)/t7-,8+,9-,11-/m1/s1
InChIKeyFQSNBMIHRVKQLA-PKIKSRDPSA-N
MW287.27 g/mol
LogP-2.87
Rot. Bonds4

About 1-[(2R,3R,4S,5R)-5-(aminomethyl)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione

1-[(2R,3R,4S,5R)-5-(aminomethyl)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 102593045) has the molecular formula C11H17N3O6 and a molecular weight of 287.27 g/mol. Its IUPAC name is 1-[(2R,3R,4S,5R)-5-(aminomethyl)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,3R,4S,5R)-5-(aminomethyl)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
PubChem CID102593045
Molecular FormulaC11H17N3O6
Molecular Weight287.27 g/mol
Exact Mass287.11
IUPAC Name1-[(2R,3R,4S,5R)-5-(aminomethyl)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
SMILESCO[C@H]1[C@H](n2ccc(=O)[nH]c2=O)O[C@](CN)(CO)[C@H]1O
InChIInChI=1S/C11H17N3O6/c1-19-7-8(17)11(4-12,5-15)20-9(7)14-3-2-6(16)13-10(14)18/h2-3,7-9,15,17H,4-5,12H2,1H3,(H,13,16,18)/t7-,8+,9-,11-/m1/s1
InChIKeyFQSNBMIHRVKQLA-PKIKSRDPSA-N
XLogP-2.87
TPSA139.80 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 5-2.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,4S,5R)-5-(aminomethyl)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,3R,4S,5R)-5-(aminomethyl)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione (CID 102593045) is 1-[(2R,3R,4S,5R)-5-(aminomethyl)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,3R,4S,5R)-5-(aminomethyl)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,3R,4S,5R)-5-(aminomethyl)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione is CO[C@H]1[C@H](n2ccc(=O)[nH]c2=O)O[C@](CN)(CO)[C@H]1O.
What is the InChIKey of 1-[(2R,3R,4S,5R)-5-(aminomethyl)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is FQSNBMIHRVKQLA-PKIKSRDPSA-N. The full InChI is InChI=1S/C11H17N3O6/c1-19-7-8(17)11(4-12,5-15)20-9(7)14-3-2-6(16)13-10(14)18/h2-3,7-9,15,17H,4-5,12H2,1H3,(H,13,16,18)/t7-,8+,9-,11-/m1/s1.
What are the key properties of 1-[(2R,3R,4S,5R)-5-(aminomethyl)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione?
1-[(2R,3R,4S,5R)-5-(aminomethyl)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 287.27 g/mol, XLogP of -2.87, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,4S,5R)-5-(aminomethyl)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 102593045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).