6-(1H-indol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine

C13H9F3N4S — CID 106775261

IUPAC6-(1H-indol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESNc1cc(Sc2cc3ccccc3[nH]2)nc(C(F)(F)F)n1
InChIInChI=1S/C13H9F3N4S/c14-13(15,16)12-19-9(17)6-11(20-12)21-10-5-7-3-1-2-4-8(7)18-10/h1-6,18H,(H2,17,19,20)
InChIKeyQBCAVRCJPHLMJK-UHFFFAOYSA-N
MW310.30 g/mol
LogP3.71
Rot. Bonds2

About 6-(1H-indol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine

6-(1H-indol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106775261) has the molecular formula C13H9F3N4S and a molecular weight of 310.30 g/mol. Its IUPAC name is 6-(1H-indol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1H-indol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106775261
Molecular FormulaC13H9F3N4S
Molecular Weight310.30 g/mol
Exact Mass310.05
IUPAC Name6-(1H-indol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESNc1cc(Sc2cc3ccccc3[nH]2)nc(C(F)(F)F)n1
InChIInChI=1S/C13H9F3N4S/c14-13(15,16)12-19-9(17)6-11(20-12)21-10-5-7-3-1-2-4-8(7)18-10/h1-6,18H,(H2,17,19,20)
InChIKeyQBCAVRCJPHLMJK-UHFFFAOYSA-N
XLogP3.71
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(1H-indol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1H-indol-2-ylsulfanyl)pyrimidin-2-amine
CID 80891404
[6-(1H-indol-2-ylsulfanyl)-2-methylsulfanylpyrimidin-4-yl]hydrazine
CID 80927316
6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775157
6-(3,4-dimethylphenyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774896
[2-(1H-indol-2-ylsulfanyl)-6-methyl-4-pyridinyl]methanamine
CID 114769908
[4-(1H-indol-2-ylsulfanyl)-6-methylpyrimidin-2-yl]hydrazine
CID 80926830
6-(4-methylpyrimidin-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775121
2-chloro-6-(1H-indol-2-ylsulfanyl)pyridine-4-carbonitrile
CID 83077192
5-chloro-6-(1H-indol-2-ylsulfanyl)pyrimidin-4-amine
CID 114049989
4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine
CID 80891402
2-(4-tert-butylphenyl)sulfanyl-1H-indole
CID 151946876
6-(3-methylbutan-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 107765563

Frequently Asked Questions

What is the IUPAC name of 6-(1H-indol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(1H-indol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106775261) is 6-(1H-indol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(1H-indol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(1H-indol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine is Nc1cc(Sc2cc3ccccc3[nH]2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-(1H-indol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is QBCAVRCJPHLMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4S/c14-13(15,16)12-19-9(17)6-11(20-12)21-10-5-7-3-1-2-4-8(7)18-10/h1-6,18H,(H2,17,19,20).
What are the key properties of 6-(1H-indol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-(1H-indol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 310.30 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106775261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).