2-phenylsulfanyl-1H-pyrimidin-6-one

C10H8N2OS — CID 141445798

IUPAC2-phenylsulfanyl-1H-pyrimidin-6-one
SMILESO=c1ccnc(Sc2ccccc2)[nH]1
InChIInChI=1S/C10H8N2OS/c13-9-6-7-11-10(12-9)14-8-4-2-1-3-5-8/h1-7H,(H,11,12,13)
InChIKeyMRZNGDCIBJNLKT-UHFFFAOYSA-N
MW204.25 g/mol
LogP1.92
Rot. Bonds2

About 2-phenylsulfanyl-1H-pyrimidin-6-one

2-phenylsulfanyl-1H-pyrimidin-6-one (PubChem CID 141445798) has the molecular formula C10H8N2OS and a molecular weight of 204.25 g/mol. Its IUPAC name is 2-phenylsulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-phenylsulfanyl-1H-pyrimidin-6-one
PubChem CID141445798
Molecular FormulaC10H8N2OS
Molecular Weight204.25 g/mol
Exact Mass204.04
IUPAC Name2-phenylsulfanyl-1H-pyrimidin-6-one
SMILESO=c1ccnc(Sc2ccccc2)[nH]1
InChIInChI=1S/C10H8N2OS/c13-9-6-7-11-10(12-9)14-8-4-2-1-3-5-8/h1-7H,(H,11,12,13)
InChIKeyMRZNGDCIBJNLKT-UHFFFAOYSA-N
XLogP1.92
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-phenylsulfanyl-1H-pyrimidin-6-one (CID 141445798) is 2-phenylsulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-phenylsulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-phenylsulfanyl-1H-pyrimidin-6-one is O=c1ccnc(Sc2ccccc2)[nH]1.
What is the InChIKey of 2-phenylsulfanyl-1H-pyrimidin-6-one?
The InChIKey is MRZNGDCIBJNLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2OS/c13-9-6-7-11-10(12-9)14-8-4-2-1-3-5-8/h1-7H,(H,11,12,13).
What are the key properties of 2-phenylsulfanyl-1H-pyrimidin-6-one?
2-phenylsulfanyl-1H-pyrimidin-6-one has a molecular weight of 204.25 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 141445798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).