6-(4-fluoro-3-methylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidine-4-thione

C15H17FN2S — CID 106515067

IUPAC6-(4-fluoro-3-methylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidine-4-thione
SMILESCc1cc(-c2[nH]c(C(C)C)nc(=S)c2C)ccc1F
InChIInChI=1S/C15H17FN2S/c1-8(2)14-17-13(10(4)15(19)18-14)11-5-6-12(16)9(3)7-11/h5-8H,1-4H3,(H,17,18,19)
InChIKeyGHCTYYIWHJPMEE-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.69
Rot. Bonds2

About 6-(4-fluoro-3-methylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidine-4-thione

6-(4-fluoro-3-methylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidine-4-thione (PubChem CID 106515067) has the molecular formula C15H17FN2S and a molecular weight of 276.38 g/mol. Its IUPAC name is 6-(4-fluoro-3-methylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(4-fluoro-3-methylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidine-4-thione
PubChem CID106515067
Molecular FormulaC15H17FN2S
Molecular Weight276.38 g/mol
Exact Mass276.11
IUPAC Name6-(4-fluoro-3-methylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidine-4-thione
SMILESCc1cc(-c2[nH]c(C(C)C)nc(=S)c2C)ccc1F
InChIInChI=1S/C15H17FN2S/c1-8(2)14-17-13(10(4)15(19)18-14)11-5-6-12(16)9(3)7-11/h5-8H,1-4H3,(H,17,18,19)
InChIKeyGHCTYYIWHJPMEE-UHFFFAOYSA-N
XLogP4.69
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.69
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-(3-chloro-4-fluorophenyl)-5-methyl-2-propan-2-yl-1H-pyrimidine-4-thione
CID 106521028
5-methyl-2-propan-2-yl-6-(2,3,4-trifluorophenyl)-1H-pyrimidine-4-thione
CID 106517645
6-(4-ethylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidine-4-thione
CID 106516375
5-methyl-2-propan-2-yl-6-thiophen-3-yl-1H-pyrimidine-4-thione
CID 106518446
4-(4-fluoro-3-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136955436
6-(5-fluoro-2-methoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidine-4-thione
CID 106518318
6-(2-chlorophenyl)-5-methyl-2-propan-2-yl-1H-pyrimidine-4-thione
CID 106515442
5-methyl-2-propan-2-yl-6-pyridin-2-yl-1H-pyrimidine-4-thione
CID 106517774
5-methyl-2-propan-2-yl-6-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-4-thione
CID 106516763
2-[4-(4-fluoro-3-methylphenyl)-2-propan-2-yl-1H-imidazol-5-yl]acetic acid
CID 95479005
2-tert-butyl-6-(3,4-dimethylphenyl)-5-methyl-1H-pyrimidine-4-thione
CID 106516502
5-methyl-2-propan-2-yl-6-(2-propan-2-yloxyphenyl)-1H-pyrimidine-4-thione
CID 106519290

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-3-methylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 6-(4-fluoro-3-methylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidine-4-thione (CID 106515067) is 6-(4-fluoro-3-methylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(4-fluoro-3-methylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(4-fluoro-3-methylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidine-4-thione is Cc1cc(-c2[nH]c(C(C)C)nc(=S)c2C)ccc1F.
What is the InChIKey of 6-(4-fluoro-3-methylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidine-4-thione?
The InChIKey is GHCTYYIWHJPMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2S/c1-8(2)14-17-13(10(4)15(19)18-14)11-5-6-12(16)9(3)7-11/h5-8H,1-4H3,(H,17,18,19).
What are the key properties of 6-(4-fluoro-3-methylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidine-4-thione?
6-(4-fluoro-3-methylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidine-4-thione has a molecular weight of 276.38 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-3-methylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106515067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).