6-(4-fluorophenyl)-1H-pyrimidine-2-thione

C10H7FN2S — CID 1474642

IUPAC6-(4-fluorophenyl)-1H-pyrimidine-2-thione
SMILESFc1ccc(-c2ccnc(=S)[nH]2)cc1
InChIInChI=1S/C10H7FN2S/c11-8-3-1-7(2-4-8)9-5-6-12-10(14)13-9/h1-6H,(H,12,13,14)
InChIKeyIKNROSDVLWITKJ-UHFFFAOYSA-N
MW206.25 g/mol
LogP2.95
Rot. Bonds1

About 6-(4-fluorophenyl)-1H-pyrimidine-2-thione

6-(4-fluorophenyl)-1H-pyrimidine-2-thione (PubChem CID 1474642) has the molecular formula C10H7FN2S and a molecular weight of 206.25 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name6-(4-fluorophenyl)-1H-pyrimidine-2-thione
PubChem CID1474642
Molecular FormulaC10H7FN2S
Molecular Weight206.25 g/mol
Exact Mass206.03
IUPAC Name6-(4-fluorophenyl)-1H-pyrimidine-2-thione
SMILESFc1ccc(-c2ccnc(=S)[nH]2)cc1
InChIInChI=1S/C10H7FN2S/c11-8-3-1-7(2-4-8)9-5-6-12-10(14)13-9/h1-6H,(H,12,13,14)
InChIKeyIKNROSDVLWITKJ-UHFFFAOYSA-N
XLogP2.95
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2(1H)-Pyrimidinethione, 4-phenyl-
CID 2305657
2H-Imidazole-2-thione, 1,3-dihydro-4-(4-fluorophenyl)-
CID 3022078
4-(4-Methylphenyl)-2-pyrimidinethiol
CID 1490196
4-(4-Chlorophenyl)-2-pyrimidinethiol
CID 2735805
4-Phenylpyrimidin-2-ol
CID 599076
1-(3,5-Difluoro-benzyl)-1H-pyrimidine-2-thione
CID 23057296
2H-Imidazole-2-thione, 1,3-dihydro-4-(2-fluorophenyl)-
CID 3022077
5-(3-Fluorophenyl)-1H-imidazole-2-thiol
CID 13290693
4-Styryl-2-pyrimidinethiol
CID 5916431
1-[(3-Fluorophenyl)methyl]pyrimidine-2-thione
CID 23057300
1-Benzylpyrimidine-2-thione
CID 23057303
4-(4-fluorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidine-2-thione
CID 122188611

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-1H-pyrimidine-2-thione?
The IUPAC name of 6-(4-fluorophenyl)-1H-pyrimidine-2-thione (CID 1474642) is 6-(4-fluorophenyl)-1H-pyrimidine-2-thione.
What is the SMILES notation for 6-(4-fluorophenyl)-1H-pyrimidine-2-thione?
The canonical SMILES for 6-(4-fluorophenyl)-1H-pyrimidine-2-thione is Fc1ccc(-c2ccnc(=S)[nH]2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-1H-pyrimidine-2-thione?
The InChIKey is IKNROSDVLWITKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2S/c11-8-3-1-7(2-4-8)9-5-6-12-10(14)13-9/h1-6H,(H,12,13,14).
What are the key properties of 6-(4-fluorophenyl)-1H-pyrimidine-2-thione?
6-(4-fluorophenyl)-1H-pyrimidine-2-thione has a molecular weight of 206.25 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-1H-pyrimidine-2-thione is sourced from PubChem (CID 1474642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).