2-(4-fluoro-2-methylphenyl)-6-methyl-1H-pyrimidine-4-thione

C12H11FN2S — CID 106475717

IUPAC2-(4-fluoro-2-methylphenyl)-6-methyl-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(-c2ccc(F)cc2C)[nH]1
InChIInChI=1S/C12H11FN2S/c1-7-5-9(13)3-4-10(7)12-14-8(2)6-11(16)15-12/h3-6H,1-2H3,(H,14,15,16)
InChIKeyBLOWNSCSSYMUAI-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.56
Rot. Bonds1

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

2-(4-fluoro-2-methylphenyl)-6-methyl-1H-pyrimidine-4-thione (PubChem CID 106475717) has the molecular formula C12H11FN2S and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-6-methyl-1H-pyrimidine-4-thione
PubChem CID106475717
Molecular FormulaC12H11FN2S
Molecular Weight234.30 g/mol
Exact Mass234.06
IUPAC Name2-(4-fluoro-2-methylphenyl)-6-methyl-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(-c2ccc(F)cc2C)[nH]1
InChIInChI=1S/C12H11FN2S/c1-7-5-9(13)3-4-10(7)12-14-8(2)6-11(16)15-12/h3-6H,1-2H3,(H,14,15,16)
InChIKeyBLOWNSCSSYMUAI-UHFFFAOYSA-N
XLogP3.56
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.56
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-Ethylspiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-thione
CID 911732
N-(2-fluorophenyl)-N',2-dimethylbenzenecarboximidamide
CID 154719034
4-Methyl-2-phenyl-6-thioxo-1,6-dihydropyrimidine-5-carbonitrile
CID 1133443
2-(2-Fluoro-6-methylphenyl)-1,4,5,6-tetrahydropyrimidine
CID 129104377
6-Methyl-2-phenylpyrimidine-4-thiol
CID 848833
2-ethyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexane]-4(6H)-thione
CID 911834
2,6-Diphenylpyrimidine-4(1H)-thione
CID 13948843
2-methyl-6-phenyl-1H-1,3,5-triazine-4-thione
CID 53946923
2-Ethyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine-7-thiol
CID 17598814
2-(4-fluorophenyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 21833487
2-fluoro-6-(4-methylphenyl)-1H-1,3,5-triazine-4-thione
CID 57207533
1-amino-5-fluoro-4H-isoquinoline-3-thione
CID 58429280

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-6-methyl-1H-pyrimidine-4-thione (CID 106475717) is 2-(4-fluoro-2-methylphenyl)-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-6-methyl-1H-pyrimidine-4-thione is Cc1cc(=S)nc(-c2ccc(F)cc2C)[nH]1.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is BLOWNSCSSYMUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2S/c1-7-5-9(13)3-4-10(7)12-14-8(2)6-11(16)15-12/h3-6H,1-2H3,(H,14,15,16).
What are the key properties of 2-(4-fluoro-2-methylphenyl)-6-methyl-1H-pyrimidine-4-thione?
2-(4-fluoro-2-methylphenyl)-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 234.30 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).