6-(3-fluoro-4-methylphenyl)-2-methyl-1H-pyrimidine-4-thione

C12H11FN2S — CID 106520272

IUPAC6-(3-fluoro-4-methylphenyl)-2-methyl-1H-pyrimidine-4-thione
SMILESCc1nc(=S)cc(-c2ccc(C)c(F)c2)[nH]1
InChIInChI=1S/C12H11FN2S/c1-7-3-4-9(5-10(7)13)11-6-12(16)15-8(2)14-11/h3-6H,1-2H3,(H,14,15,16)
InChIKeyRORSQHMGKLHJGI-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.56
Rot. Bonds1

About 6-(3-fluoro-4-methylphenyl)-2-methyl-1H-pyrimidine-4-thione

6-(3-fluoro-4-methylphenyl)-2-methyl-1H-pyrimidine-4-thione (PubChem CID 106520272) has the molecular formula C12H11FN2S and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-(3-fluoro-4-methylphenyl)-2-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(3-fluoro-4-methylphenyl)-2-methyl-1H-pyrimidine-4-thione
PubChem CID106520272
Molecular FormulaC12H11FN2S
Molecular Weight234.30 g/mol
Exact Mass234.06
IUPAC Name6-(3-fluoro-4-methylphenyl)-2-methyl-1H-pyrimidine-4-thione
SMILESCc1nc(=S)cc(-c2ccc(C)c(F)c2)[nH]1
InChIInChI=1S/C12H11FN2S/c1-7-3-4-9(5-10(7)13)11-6-12(16)15-8(2)14-11/h3-6H,1-2H3,(H,14,15,16)
InChIKeyRORSQHMGKLHJGI-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

6-ethyl-2-(3-fluoro-4-methylphenyl)-1H-pyrimidine-4-thione
CID 106476226
2-methyl-6-(5-methyl-3-pyridinyl)-1H-pyrimidine-4-thione
CID 106520464
5-bromo-2-(3-fluoro-4-methylphenyl)-6-methyl-1H-pyrimidine-4-thione
CID 106479156
2-methyl-6-(4-methyl-3-pyridinyl)-1H-pyrimidine-4-thione
CID 106518927
3-(3-fluoro-4-methylphenyl)-4-methyl-1H-1,2,4-triazole-5-thione
CID 115389457
6-(3-cyclopropyloxyphenyl)-2-methyl-1H-pyrimidine-4-thione
CID 106522214
CID 123714778
CID 123714778
6-(5-methoxy-3-pyridinyl)-2-methyl-1H-pyrimidine-4-thione
CID 106520596
2-tert-butyl-6-(2,6-difluoro-3-methylphenyl)-1H-pyrimidine-4-thione
CID 106520877
2-methyl-6-pyridin-2-yl-1H-pyrimidine-4-thione
CID 53330998
6-(2-chlorophenyl)-2-methyl-1H-pyrimidine-4-thione
CID 106515465
2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 22899602

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-methylphenyl)-2-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 6-(3-fluoro-4-methylphenyl)-2-methyl-1H-pyrimidine-4-thione (CID 106520272) is 6-(3-fluoro-4-methylphenyl)-2-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(3-fluoro-4-methylphenyl)-2-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(3-fluoro-4-methylphenyl)-2-methyl-1H-pyrimidine-4-thione is Cc1nc(=S)cc(-c2ccc(C)c(F)c2)[nH]1.
What is the InChIKey of 6-(3-fluoro-4-methylphenyl)-2-methyl-1H-pyrimidine-4-thione?
The InChIKey is RORSQHMGKLHJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2S/c1-7-3-4-9(5-10(7)13)11-6-12(16)15-8(2)14-11/h3-6H,1-2H3,(H,14,15,16).
What are the key properties of 6-(3-fluoro-4-methylphenyl)-2-methyl-1H-pyrimidine-4-thione?
6-(3-fluoro-4-methylphenyl)-2-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 6-(3-fluoro-4-methylphenyl)-2-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106520272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).