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

C7H8F3N3S — CID 83399520

IUPAC2-(dimethylamino)-6-(trifluoromethyl)-1H-pyrimidine-4-thione
SMILESCN(C)c1nc(=S)cc(C(F)(F)F)[nH]1
InChIInChI=1S/C7H8F3N3S/c1-13(2)6-11-4(7(8,9)10)3-5(14)12-6/h3H,1-2H3,(H,11,12,14)
InChIKeyZXHNLAVHFAXSFQ-UHFFFAOYSA-N
MW223.22 g/mol
LogP2.22
Rot. Bonds1

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

2-(dimethylamino)-6-(trifluoromethyl)-1H-pyrimidine-4-thione (PubChem CID 83399520) has the molecular formula C7H8F3N3S and a molecular weight of 223.22 g/mol. Its IUPAC name is 2-(dimethylamino)-6-(trifluoromethyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(dimethylamino)-6-(trifluoromethyl)-1H-pyrimidine-4-thione
PubChem CID83399520
Molecular FormulaC7H8F3N3S
Molecular Weight223.22 g/mol
Exact Mass223.04
IUPAC Name2-(dimethylamino)-6-(trifluoromethyl)-1H-pyrimidine-4-thione
SMILESCN(C)c1nc(=S)cc(C(F)(F)F)[nH]1
InChIInChI=1S/C7H8F3N3S/c1-13(2)6-11-4(7(8,9)10)3-5(14)12-6/h3H,1-2H3,(H,11,12,14)
InChIKeyZXHNLAVHFAXSFQ-UHFFFAOYSA-N
XLogP2.22
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4(1H)-Pyrimidinethione, 2-amino-6-(trifluoromethyl)-
CID 5375412
7-methyl-2-(trifluoromethyl)-1H-imidazo[1,2-a]pyrimidine-5-thione
CID 178130706
2-(dimethylamino)-6-methyl-1H-pyrimidine-4-thione
CID 21488478

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-6-(trifluoromethyl)-1H-pyrimidine-4-thione?
The IUPAC name of 2-(dimethylamino)-6-(trifluoromethyl)-1H-pyrimidine-4-thione (CID 83399520) is 2-(dimethylamino)-6-(trifluoromethyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(dimethylamino)-6-(trifluoromethyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(dimethylamino)-6-(trifluoromethyl)-1H-pyrimidine-4-thione is CN(C)c1nc(=S)cc(C(F)(F)F)[nH]1.
What is the InChIKey of 2-(dimethylamino)-6-(trifluoromethyl)-1H-pyrimidine-4-thione?
The InChIKey is ZXHNLAVHFAXSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3S/c1-13(2)6-11-4(7(8,9)10)3-5(14)12-6/h3H,1-2H3,(H,11,12,14).
What are the key properties of 2-(dimethylamino)-6-(trifluoromethyl)-1H-pyrimidine-4-thione?
2-(dimethylamino)-6-(trifluoromethyl)-1H-pyrimidine-4-thione has a molecular weight of 223.22 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-6-(trifluoromethyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 83399520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).