4,6-diphenyl-1H-pyrimidine-2-thione

C16H12N2S — CID 3038178

IUPAC4,6-diphenyl-1H-pyrimidine-2-thione
SMILESS=c1nc(-c2ccccc2)cc(-c2ccccc2)[nH]1
InChIInChI=1S/C16H12N2S/c19-16-17-14(12-7-3-1-4-8-12)11-15(18-16)13-9-5-2-6-10-13/h1-11H,(H,17,18,19)
InChIKeyYFOKEAIUZJMAMD-UHFFFAOYSA-N
MW264.35 g/mol
LogP4.47
Rot. Bonds2

About 4,6-diphenyl-1H-pyrimidine-2-thione

4,6-diphenyl-1H-pyrimidine-2-thione (PubChem CID 3038178) has the molecular formula C16H12N2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 4,6-diphenyl-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name4,6-diphenyl-1H-pyrimidine-2-thione
PubChem CID3038178
Molecular FormulaC16H12N2S
Molecular Weight264.35 g/mol
Exact Mass264.07
IUPAC Name4,6-diphenyl-1H-pyrimidine-2-thione
SMILESS=c1nc(-c2ccccc2)cc(-c2ccccc2)[nH]1
InChIInChI=1S/C16H12N2S/c19-16-17-14(12-7-3-1-4-8-12)11-15(18-16)13-9-5-2-6-10-13/h1-11H,(H,17,18,19)
InChIKeyYFOKEAIUZJMAMD-UHFFFAOYSA-N
XLogP4.47
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-1H-pyrimidine-2-thione?
The IUPAC name of 4,6-diphenyl-1H-pyrimidine-2-thione (CID 3038178) is 4,6-diphenyl-1H-pyrimidine-2-thione.
What is the SMILES notation for 4,6-diphenyl-1H-pyrimidine-2-thione?
The canonical SMILES for 4,6-diphenyl-1H-pyrimidine-2-thione is S=c1nc(-c2ccccc2)cc(-c2ccccc2)[nH]1.
What is the InChIKey of 4,6-diphenyl-1H-pyrimidine-2-thione?
The InChIKey is YFOKEAIUZJMAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2S/c19-16-17-14(12-7-3-1-4-8-12)11-15(18-16)13-9-5-2-6-10-13/h1-11H,(H,17,18,19).
What are the key properties of 4,6-diphenyl-1H-pyrimidine-2-thione?
4,6-diphenyl-1H-pyrimidine-2-thione has a molecular weight of 264.35 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-1H-pyrimidine-2-thione is sourced from PubChem (CID 3038178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).