6-(pyridin-2-ylsulfanylmethyl)-1H-pyrimidine-2,4-dione

C10H9N3O2S — CID 645005

IUPAC6-(pyridin-2-ylsulfanylmethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(CSc2ccccn2)[nH]c(=O)[nH]1
InChIInChI=1S/C10H9N3O2S/c14-8-5-7(12-10(15)13-8)6-16-9-3-1-2-4-11-9/h1-5H,6H2,(H2,12,13,14,15)
InChIKeyCPUPDLKSBBVRCC-UHFFFAOYSA-N
MW235.27 g/mol
LogP0.75
Rot. Bonds3

About 6-(pyridin-2-ylsulfanylmethyl)-1H-pyrimidine-2,4-dione

6-(pyridin-2-ylsulfanylmethyl)-1H-pyrimidine-2,4-dione (PubChem CID 645005) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is 6-(pyridin-2-ylsulfanylmethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(pyridin-2-ylsulfanylmethyl)-1H-pyrimidine-2,4-dione
PubChem CID645005
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Name6-(pyridin-2-ylsulfanylmethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(CSc2ccccn2)[nH]c(=O)[nH]1
InChIInChI=1S/C10H9N3O2S/c14-8-5-7(12-10(15)13-8)6-16-9-3-1-2-4-11-9/h1-5H,6H2,(H2,12,13,14,15)
InChIKeyCPUPDLKSBBVRCC-UHFFFAOYSA-N
XLogP0.75
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(pyridin-2-ylsulfanylmethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(pyridin-2-ylsulfanylmethyl)-1H-pyrimidine-2,4-dione (CID 645005) is 6-(pyridin-2-ylsulfanylmethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(pyridin-2-ylsulfanylmethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(pyridin-2-ylsulfanylmethyl)-1H-pyrimidine-2,4-dione is O=c1cc(CSc2ccccn2)[nH]c(=O)[nH]1.
What is the InChIKey of 6-(pyridin-2-ylsulfanylmethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is CPUPDLKSBBVRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c14-8-5-7(12-10(15)13-8)6-16-9-3-1-2-4-11-9/h1-5H,6H2,(H2,12,13,14,15).
What are the key properties of 6-(pyridin-2-ylsulfanylmethyl)-1H-pyrimidine-2,4-dione?
6-(pyridin-2-ylsulfanylmethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 235.27 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyridin-2-ylsulfanylmethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 645005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).