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

C6H5F3N2S — CID 19820614

IUPAC2-methyl-6-(trifluoromethyl)-1H-pyrimidine-4-thione
SMILESCc1nc(=S)cc(C(F)(F)F)[nH]1
InChIInChI=1S/C6H5F3N2S/c1-3-10-4(6(7,8)9)2-5(12)11-3/h2H,1H3,(H,10,11,12)
InChIKeyDKPLNSUGMMLZMX-UHFFFAOYSA-N
MW194.18 g/mol
LogP2.47
Rot. Bonds

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

2-methyl-6-(trifluoromethyl)-1H-pyrimidine-4-thione (PubChem CID 19820614) has the molecular formula C6H5F3N2S and a molecular weight of 194.18 g/mol. Its IUPAC name is 2-methyl-6-(trifluoromethyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-methyl-6-(trifluoromethyl)-1H-pyrimidine-4-thione
PubChem CID19820614
Molecular FormulaC6H5F3N2S
Molecular Weight194.18 g/mol
Exact Mass194.01
IUPAC Name2-methyl-6-(trifluoromethyl)-1H-pyrimidine-4-thione
SMILESCc1nc(=S)cc(C(F)(F)F)[nH]1
InChIInChI=1S/C6H5F3N2S/c1-3-10-4(6(7,8)9)2-5(12)11-3/h2H,1H3,(H,10,11,12)
InChIKeyDKPLNSUGMMLZMX-UHFFFAOYSA-N
XLogP2.47
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(trifluoromethyl)-1H-pyrimidine-4-thione?
The IUPAC name of 2-methyl-6-(trifluoromethyl)-1H-pyrimidine-4-thione (CID 19820614) is 2-methyl-6-(trifluoromethyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-methyl-6-(trifluoromethyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-methyl-6-(trifluoromethyl)-1H-pyrimidine-4-thione is Cc1nc(=S)cc(C(F)(F)F)[nH]1.
What is the InChIKey of 2-methyl-6-(trifluoromethyl)-1H-pyrimidine-4-thione?
The InChIKey is DKPLNSUGMMLZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2S/c1-3-10-4(6(7,8)9)2-5(12)11-3/h2H,1H3,(H,10,11,12).
What are the key properties of 2-methyl-6-(trifluoromethyl)-1H-pyrimidine-4-thione?
2-methyl-6-(trifluoromethyl)-1H-pyrimidine-4-thione has a molecular weight of 194.18 g/mol, XLogP of 2.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(trifluoromethyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 19820614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).