6-methyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidine-4-thione

C7H7F3N2S — CID 106475581

IUPAC6-methyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(CC(F)(F)F)[nH]1
InChIInChI=1S/C7H7F3N2S/c1-4-2-6(13)12-5(11-4)3-7(8,9)10/h2H,3H2,1H3,(H,11,12,13)
InChIKeyLDYMGHWHUZUEIG-UHFFFAOYSA-N
MW208.21 g/mol
LogP2.55
Rot. Bonds1

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

6-methyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidine-4-thione (PubChem CID 106475581) has the molecular formula C7H7F3N2S and a molecular weight of 208.21 g/mol. Its IUPAC name is 6-methyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-methyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidine-4-thione
PubChem CID106475581
Molecular FormulaC7H7F3N2S
Molecular Weight208.21 g/mol
Exact Mass208.03
IUPAC Name6-methyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(CC(F)(F)F)[nH]1
InChIInChI=1S/C7H7F3N2S/c1-4-2-6(13)12-5(11-4)3-7(8,9)10/h2H,3H2,1H3,(H,11,12,13)
InChIKeyLDYMGHWHUZUEIG-UHFFFAOYSA-N
XLogP2.55
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 52.55
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

2,6-Dimethylpyrimidine-4-thiol
CID 4410552
2-Isopropyl-6-methylpyrimidine-4-thiol
CID 7131471
6-methyl-2-(trifluoromethyl)-1H-pyrimidine-4-thione
CID 4520586
2-methyl-6-(trifluoromethyl)-1H-pyrimidine-4-thione
CID 19820614
2-Cyclopropyl-6-(trifluoromethyl)pyrimidine-4-thiol
CID 83399479
6-(difluoromethyl)-2-(trifluoromethyl)-1H-pyrimidine-4-thione
CID 99985779
6-propyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidine-4-thione
CID 106475072
6-propyl-2-(3,3,3-trifluoropropyl)-1H-pyrimidine-4-thione
CID 106475097
6-propan-2-yl-2-(2,2,2-trifluoroethyl)-1H-pyrimidine-4-thione
CID 106475328
6-methyl-2-(3,3,3-trifluoropropyl)-1H-pyrimidine-4-thione
CID 106475612
6-ethyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidine-4-thione
CID 106476083
6-ethyl-2-(3,3,3-trifluoropropyl)-1H-pyrimidine-4-thione
CID 106476114

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-methyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidine-4-thione (CID 106475581) is 6-methyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-methyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-methyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidine-4-thione is Cc1cc(=S)nc(CC(F)(F)F)[nH]1.
What is the InChIKey of 6-methyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidine-4-thione?
The InChIKey is LDYMGHWHUZUEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2S/c1-4-2-6(13)12-5(11-4)3-7(8,9)10/h2H,3H2,1H3,(H,11,12,13).
What are the key properties of 6-methyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidine-4-thione?
6-methyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidine-4-thione has a molecular weight of 208.21 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).