6-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-1H-pyrimidin-2-one

C8H10N2O3S — CID 54511648

IUPAC6-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-1H-pyrimidin-2-one
SMILESO=c1nccc(C2CSC(CO)O2)[nH]1
InChIInChI=1S/C8H10N2O3S/c11-3-7-13-6(4-14-7)5-1-2-9-8(12)10-5/h1-2,6-7,11H,3-4H2,(H,9,10,12)
InChIKeyYJODPNCRFVUIQW-UHFFFAOYSA-N
MW214.25 g/mol
LogP-0.11
Rot. Bonds2

About 6-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-1H-pyrimidin-2-one

6-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-1H-pyrimidin-2-one (PubChem CID 54511648) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is 6-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-1H-pyrimidin-2-one
PubChem CID54511648
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name6-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-1H-pyrimidin-2-one
SMILESO=c1nccc(C2CSC(CO)O2)[nH]1
InChIInChI=1S/C8H10N2O3S/c11-3-7-13-6(4-14-7)5-1-2-9-8(12)10-5/h1-2,6-7,11H,3-4H2,(H,9,10,12)
InChIKeyYJODPNCRFVUIQW-UHFFFAOYSA-N
XLogP-0.11
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-1H-pyrimidin-2-one?
The IUPAC name of 6-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-1H-pyrimidin-2-one (CID 54511648) is 6-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-1H-pyrimidin-2-one is O=c1nccc(C2CSC(CO)O2)[nH]1.
What is the InChIKey of 6-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-1H-pyrimidin-2-one?
The InChIKey is YJODPNCRFVUIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c11-3-7-13-6(4-14-7)5-1-2-9-8(12)10-5/h1-2,6-7,11H,3-4H2,(H,9,10,12).
What are the key properties of 6-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-1H-pyrimidin-2-one?
6-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-1H-pyrimidin-2-one has a molecular weight of 214.25 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-1H-pyrimidin-2-one is sourced from PubChem (CID 54511648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).