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

C11H9FN2S — CID 53331001

IUPAC2-(4-fluorophenyl)-6-methyl-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C11H9FN2S/c1-7-6-10(15)14-11(13-7)8-2-4-9(12)5-3-8/h2-6H,1H3,(H,13,14,15)
InChIKeyGFJKTPDEUKOXHG-UHFFFAOYSA-N
MW220.27 g/mol
LogP3.25
Rot. Bonds1

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

2-(4-fluorophenyl)-6-methyl-1H-pyrimidine-4-thione (PubChem CID 53331001) has the molecular formula C11H9FN2S and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-methyl-1H-pyrimidine-4-thione
PubChem CID53331001
Molecular FormulaC11H9FN2S
Molecular Weight220.27 g/mol
Exact Mass220.05
IUPAC Name2-(4-fluorophenyl)-6-methyl-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C11H9FN2S/c1-7-6-10(15)14-11(13-7)8-2-4-9(12)5-3-8/h2-6H,1H3,(H,13,14,15)
InChIKeyGFJKTPDEUKOXHG-UHFFFAOYSA-N
XLogP3.25
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 53.25
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

1-(4-Methyl-2-phenyl-6-sulfanyl-5-pyrimidinyl)-1-ethanone
CID 2745800
2-(4-Fluorophenyl)-6-methylpyrimidin-4(1H)-one
CID 135629608
N-(4-fluorophenyl)-N'-methylbenzenecarboximidamide
CID 4852087
N-(2-fluorophenyl)-N'-methylbenzenecarboximidamide
CID 154719420
4-Methyl-2-phenyl-6-thioxo-1,6-dihydropyrimidine-5-carbonitrile
CID 1133443
2-(2-Fluoro-4-methylphenyl)-1,4,5,6-tetrahydropyrimidine
CID 129104170
2-(2,4-Difluorophenyl)-1,4,5,6-tetrahydropyrimidine
CID 129104347
6-Methyl-2-phenylpyrimidine-4-thiol
CID 848833
AC1Nta8W
CID 5376550
(6S)-2-(2-fluorophenyl)-6-methyl-1,4,5,6-tetrahydropyrimidine
CID 134861075
2-(5-cyano-4-methylsulfanyl-2-phenyl-1H-pyrimidin-6-ylidene)propanedinitrile
CID 2801168
4,6-Diphenyl-1,3,5-triazine-2(1H)-thione
CID 790520

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(4-fluorophenyl)-6-methyl-1H-pyrimidine-4-thione (CID 53331001) is 2-(4-fluorophenyl)-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(4-fluorophenyl)-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(4-fluorophenyl)-6-methyl-1H-pyrimidine-4-thione is Cc1cc(=S)nc(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of 2-(4-fluorophenyl)-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is GFJKTPDEUKOXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2S/c1-7-6-10(15)14-11(13-7)8-2-4-9(12)5-3-8/h2-6H,1H3,(H,13,14,15).
What are the key properties of 2-(4-fluorophenyl)-6-methyl-1H-pyrimidine-4-thione?
2-(4-fluorophenyl)-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 220.27 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 53331001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).