2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one

C10H9N3OS — CID 19829479

IUPAC2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(SCc2ccccn2)[nH]1
InChIInChI=1S/C10H9N3OS/c14-9-4-6-12-10(13-9)15-7-8-3-1-2-5-11-8/h1-6H,7H2,(H,12,13,14)
InChIKeyNWESVKHSSBXPOF-UHFFFAOYSA-N
MW219.27 g/mol
LogP1.46
Rot. Bonds3

About 2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one

2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one (PubChem CID 19829479) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is 2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one
PubChem CID19829479
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC Name2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(SCc2ccccn2)[nH]1
InChIInChI=1S/C10H9N3OS/c14-9-4-6-12-10(13-9)15-7-8-3-1-2-5-11-8/h1-6H,7H2,(H,12,13,14)
InChIKeyNWESVKHSSBXPOF-UHFFFAOYSA-N
XLogP1.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one (CID 19829479) is 2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one is O=c1ccnc(SCc2ccccn2)[nH]1.
What is the InChIKey of 2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one?
The InChIKey is NWESVKHSSBXPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS/c14-9-4-6-12-10(13-9)15-7-8-3-1-2-5-11-8/h1-6H,7H2,(H,12,13,14).
What are the key properties of 2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one?
2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one has a molecular weight of 219.27 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 19829479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).