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

C5H4F3N3S — CID 5375412

IUPAC2-amino-6-(trifluoromethyl)-1H-pyrimidine-4-thione
SMILESNc1nc(=S)cc(C(F)(F)F)[nH]1
InChIInChI=1S/C5H4F3N3S/c6-5(7,8)2-1-3(12)11-4(9)10-2/h1H,(H3,9,10,11,12)
InChIKeyVPMSWQPUSXNXFR-UHFFFAOYSA-N
MW195.17 g/mol
LogP1.74
Rot. Bonds

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

2-amino-6-(trifluoromethyl)-1H-pyrimidine-4-thione (PubChem CID 5375412) has the molecular formula C5H4F3N3S and a molecular weight of 195.17 g/mol. Its IUPAC name is 2-amino-6-(trifluoromethyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-amino-6-(trifluoromethyl)-1H-pyrimidine-4-thione
PubChem CID5375412
Molecular FormulaC5H4F3N3S
Molecular Weight195.17 g/mol
Exact Mass195.01
IUPAC Name2-amino-6-(trifluoromethyl)-1H-pyrimidine-4-thione
SMILESNc1nc(=S)cc(C(F)(F)F)[nH]1
InChIInChI=1S/C5H4F3N3S/c6-5(7,8)2-1-3(12)11-4(9)10-2/h1H,(H3,9,10,11,12)
InChIKeyVPMSWQPUSXNXFR-UHFFFAOYSA-N
XLogP1.74
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-amino-6-(trifluoromethyl)-1H-pyrimidine-4-thione?
The IUPAC name of 2-amino-6-(trifluoromethyl)-1H-pyrimidine-4-thione (CID 5375412) is 2-amino-6-(trifluoromethyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-amino-6-(trifluoromethyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-amino-6-(trifluoromethyl)-1H-pyrimidine-4-thione is Nc1nc(=S)cc(C(F)(F)F)[nH]1.
What is the InChIKey of 2-amino-6-(trifluoromethyl)-1H-pyrimidine-4-thione?
The InChIKey is VPMSWQPUSXNXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3S/c6-5(7,8)2-1-3(12)11-4(9)10-2/h1H,(H3,9,10,11,12).
What are the key properties of 2-amino-6-(trifluoromethyl)-1H-pyrimidine-4-thione?
2-amino-6-(trifluoromethyl)-1H-pyrimidine-4-thione has a molecular weight of 195.17 g/mol, XLogP of 1.74, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(trifluoromethyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 5375412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).