5-bromo-2-(3-fluorophenyl)-1H-pyrimidine-6-thione

C10H6BrFN2S — CID 106480791

IUPAC5-bromo-2-(3-fluorophenyl)-1H-pyrimidine-6-thione
SMILESFc1cccc(-c2ncc(Br)c(=S)[nH]2)c1
InChIInChI=1S/C10H6BrFN2S/c11-8-5-13-9(14-10(8)15)6-2-1-3-7(12)4-6/h1-5H,(H,13,14,15)
InChIKeyPUQBWSYDWDEHQZ-UHFFFAOYSA-N
MW285.14 g/mol
LogP3.71
Rot. Bonds1

About 5-bromo-2-(3-fluorophenyl)-1H-pyrimidine-6-thione

5-bromo-2-(3-fluorophenyl)-1H-pyrimidine-6-thione (PubChem CID 106480791) has the molecular formula C10H6BrFN2S and a molecular weight of 285.14 g/mol. Its IUPAC name is 5-bromo-2-(3-fluorophenyl)-1H-pyrimidine-6-thione.

Molecular Properties

Compound Name5-bromo-2-(3-fluorophenyl)-1H-pyrimidine-6-thione
PubChem CID106480791
Molecular FormulaC10H6BrFN2S
Molecular Weight285.14 g/mol
Exact Mass283.94
IUPAC Name5-bromo-2-(3-fluorophenyl)-1H-pyrimidine-6-thione
SMILESFc1cccc(-c2ncc(Br)c(=S)[nH]2)c1
InChIInChI=1S/C10H6BrFN2S/c11-8-5-13-9(14-10(8)15)6-2-1-3-7(12)4-6/h1-5H,(H,13,14,15)
InChIKeyPUQBWSYDWDEHQZ-UHFFFAOYSA-N
XLogP3.71
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 53.71
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 5-bromo-2-(3-fluorophenyl)-1H-pyrimidine-6-thione?
The IUPAC name of 5-bromo-2-(3-fluorophenyl)-1H-pyrimidine-6-thione (CID 106480791) is 5-bromo-2-(3-fluorophenyl)-1H-pyrimidine-6-thione.
What is the SMILES notation for 5-bromo-2-(3-fluorophenyl)-1H-pyrimidine-6-thione?
The canonical SMILES for 5-bromo-2-(3-fluorophenyl)-1H-pyrimidine-6-thione is Fc1cccc(-c2ncc(Br)c(=S)[nH]2)c1.
What is the InChIKey of 5-bromo-2-(3-fluorophenyl)-1H-pyrimidine-6-thione?
The InChIKey is PUQBWSYDWDEHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrFN2S/c11-8-5-13-9(14-10(8)15)6-2-1-3-7(12)4-6/h1-5H,(H,13,14,15).
What are the key properties of 5-bromo-2-(3-fluorophenyl)-1H-pyrimidine-6-thione?
5-bromo-2-(3-fluorophenyl)-1H-pyrimidine-6-thione has a molecular weight of 285.14 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-fluorophenyl)-1H-pyrimidine-6-thione is sourced from PubChem (CID 106480791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).