6-amino-1-[(2R,4R)-2-(hydroxymethyl)-1,3-oxathiolan-4-yl]pyrimidin-2-one

C8H11N3O3S — CID 46186753

IUPAC6-amino-1-[(2R,4R)-2-(hydroxymethyl)-1,3-oxathiolan-4-yl]pyrimidin-2-one
SMILESNc1ccnc(=O)n1[C@H]1CO[C@@H](CO)S1
InChIInChI=1S/C8H11N3O3S/c9-5-1-2-10-8(13)11(5)6-4-14-7(3-12)15-6/h1-2,6-7,12H,3-4,9H2/t6-,7-/m1/s1
InChIKeyYANGRSXIPJPMLR-RNFRBKRXSA-N
MW229.26 g/mol
LogP-0.59
Rot. Bonds2

About 6-amino-1-[(2R,4R)-2-(hydroxymethyl)-1,3-oxathiolan-4-yl]pyrimidin-2-one

6-amino-1-[(2R,4R)-2-(hydroxymethyl)-1,3-oxathiolan-4-yl]pyrimidin-2-one (PubChem CID 46186753) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is 6-amino-1-[(2R,4R)-2-(hydroxymethyl)-1,3-oxathiolan-4-yl]pyrimidin-2-one.

Molecular Properties

Compound Name6-amino-1-[(2R,4R)-2-(hydroxymethyl)-1,3-oxathiolan-4-yl]pyrimidin-2-one
PubChem CID46186753
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC Name6-amino-1-[(2R,4R)-2-(hydroxymethyl)-1,3-oxathiolan-4-yl]pyrimidin-2-one
SMILESNc1ccnc(=O)n1[C@H]1CO[C@@H](CO)S1
InChIInChI=1S/C8H11N3O3S/c9-5-1-2-10-8(13)11(5)6-4-14-7(3-12)15-6/h1-2,6-7,12H,3-4,9H2/t6-,7-/m1/s1
InChIKeyYANGRSXIPJPMLR-RNFRBKRXSA-N
XLogP-0.59
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[(2R,4R)-2-(hydroxymethyl)-1,3-oxathiolan-4-yl]pyrimidin-2-one?
The IUPAC name of 6-amino-1-[(2R,4R)-2-(hydroxymethyl)-1,3-oxathiolan-4-yl]pyrimidin-2-one (CID 46186753) is 6-amino-1-[(2R,4R)-2-(hydroxymethyl)-1,3-oxathiolan-4-yl]pyrimidin-2-one.
What is the SMILES notation for 6-amino-1-[(2R,4R)-2-(hydroxymethyl)-1,3-oxathiolan-4-yl]pyrimidin-2-one?
The canonical SMILES for 6-amino-1-[(2R,4R)-2-(hydroxymethyl)-1,3-oxathiolan-4-yl]pyrimidin-2-one is Nc1ccnc(=O)n1[C@H]1CO[C@@H](CO)S1.
What is the InChIKey of 6-amino-1-[(2R,4R)-2-(hydroxymethyl)-1,3-oxathiolan-4-yl]pyrimidin-2-one?
The InChIKey is YANGRSXIPJPMLR-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H11N3O3S/c9-5-1-2-10-8(13)11(5)6-4-14-7(3-12)15-6/h1-2,6-7,12H,3-4,9H2/t6-,7-/m1/s1.
What are the key properties of 6-amino-1-[(2R,4R)-2-(hydroxymethyl)-1,3-oxathiolan-4-yl]pyrimidin-2-one?
6-amino-1-[(2R,4R)-2-(hydroxymethyl)-1,3-oxathiolan-4-yl]pyrimidin-2-one has a molecular weight of 229.26 g/mol, XLogP of -0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[(2R,4R)-2-(hydroxymethyl)-1,3-oxathiolan-4-yl]pyrimidin-2-one is sourced from PubChem (CID 46186753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).