2-(5,6-dimethyl-1,4-dithian-2-yl)-4-hydroxy-1H-pyrimidin-6-one

C10H14N2O2S2 — CID 103344629

IUPAC2-(5,6-dimethyl-1,4-dithian-2-yl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCC1SCC(c2nc(O)cc(=O)[nH]2)SC1C
InChIInChI=1S/C10H14N2O2S2/c1-5-6(2)16-7(4-15-5)10-11-8(13)3-9(14)12-10/h3,5-7H,4H2,1-2H3,(H2,11,12,13,14)
InChIKeySXJISZNIVDRKJU-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.77
Rot. Bonds1

About 2-(5,6-dimethyl-1,4-dithian-2-yl)-4-hydroxy-1H-pyrimidin-6-one

2-(5,6-dimethyl-1,4-dithian-2-yl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 103344629) has the molecular formula C10H14N2O2S2 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-(5,6-dimethyl-1,4-dithian-2-yl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(5,6-dimethyl-1,4-dithian-2-yl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID103344629
Molecular FormulaC10H14N2O2S2
Molecular Weight258.37 g/mol
Exact Mass258.05
IUPAC Name2-(5,6-dimethyl-1,4-dithian-2-yl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCC1SCC(c2nc(O)cc(=O)[nH]2)SC1C
InChIInChI=1S/C10H14N2O2S2/c1-5-6(2)16-7(4-15-5)10-11-8(13)3-9(14)12-10/h3,5-7H,4H2,1-2H3,(H2,11,12,13,14)
InChIKeySXJISZNIVDRKJU-UHFFFAOYSA-N
XLogP1.77
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-1,4-dithian-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(5,6-dimethyl-1,4-dithian-2-yl)-4-hydroxy-1H-pyrimidin-6-one (CID 103344629) is 2-(5,6-dimethyl-1,4-dithian-2-yl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(5,6-dimethyl-1,4-dithian-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(5,6-dimethyl-1,4-dithian-2-yl)-4-hydroxy-1H-pyrimidin-6-one is CC1SCC(c2nc(O)cc(=O)[nH]2)SC1C.
What is the InChIKey of 2-(5,6-dimethyl-1,4-dithian-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is SXJISZNIVDRKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S2/c1-5-6(2)16-7(4-15-5)10-11-8(13)3-9(14)12-10/h3,5-7H,4H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 2-(5,6-dimethyl-1,4-dithian-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
2-(5,6-dimethyl-1,4-dithian-2-yl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 258.37 g/mol, XLogP of 1.77, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-1,4-dithian-2-yl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 103344629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).