2-pyrimidin-4-ylsulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide

C11H8F3N5S — CID 79877275

IUPAC2-pyrimidin-4-ylsulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C(F)(F)F)nc1Sc1ccncn1
InChIInChI=1S/C11H8F3N5S/c12-11(13,14)7-2-1-6(9(15)16)10(19-7)20-8-3-4-17-5-18-8/h1-5H,(H3,15,16)
InChIKeyADUGGFZXSWGYSJ-UHFFFAOYSA-N
MW299.28 g/mol
LogP2.33
Rot. Bonds3

About 2-pyrimidin-4-ylsulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide

2-pyrimidin-4-ylsulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide (PubChem CID 79877275) has the molecular formula C11H8F3N5S and a molecular weight of 299.28 g/mol. Its IUPAC name is 2-pyrimidin-4-ylsulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-pyrimidin-4-ylsulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide
PubChem CID79877275
Molecular FormulaC11H8F3N5S
Molecular Weight299.28 g/mol
Exact Mass299.05
IUPAC Name2-pyrimidin-4-ylsulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C(F)(F)F)nc1Sc1ccncn1
InChIInChI=1S/C11H8F3N5S/c12-11(13,14)7-2-1-6(9(15)16)10(19-7)20-8-3-4-17-5-18-8/h1-5H,(H3,15,16)
InChIKeyADUGGFZXSWGYSJ-UHFFFAOYSA-N
XLogP2.33
TPSA88.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-pyrimidin-4-ylsulfanyl-2-(trifluoromethyl)benzenecarboximidamide
CID 63697815
2-(4-methylphenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79875370
2-(3-chlorophenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79875519
2-(3-bromophenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79875521
2-(3-methylbutan-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 107750057
2-(1-methylpyrazol-4-yl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79876803
2-(3-methylbutylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 107750158
4-pyrimidin-4-ylsulfanylbenzenecarboximidamide
CID 63697461
2-(1-methoxypropan-2-yloxy)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877401
2-(2-methylphenoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79875024
2-(4-hydroxy-4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 81096071
2-(2-propoxyethoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877333

Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-4-ylsulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide?
The IUPAC name of 2-pyrimidin-4-ylsulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide (CID 79877275) is 2-pyrimidin-4-ylsulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide.
What is the SMILES notation for 2-pyrimidin-4-ylsulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide?
The canonical SMILES for 2-pyrimidin-4-ylsulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(C(F)(F)F)nc1Sc1ccncn1.
What is the InChIKey of 2-pyrimidin-4-ylsulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide?
The InChIKey is ADUGGFZXSWGYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N5S/c12-11(13,14)7-2-1-6(9(15)16)10(19-7)20-8-3-4-17-5-18-8/h1-5H,(H3,15,16).
What are the key properties of 2-pyrimidin-4-ylsulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide?
2-pyrimidin-4-ylsulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide has a molecular weight of 299.28 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-4-ylsulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide is sourced from PubChem (CID 79877275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).