6-(trifluoromethyl)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridin-3-amine

C13H13F3N4S — CID 106748835

IUPAC6-(trifluoromethyl)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridin-3-amine
SMILESCc1nc(Sc2cc(C(F)(F)F)ncc2N)nc(C)c1C
InChIInChI=1S/C13H13F3N4S/c1-6-7(2)19-12(20-8(6)3)21-10-4-11(13(14,15)16)18-5-9(10)17/h4-5H,17H2,1-3H3
InChIKeyZRNOVELURGFXSU-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.55
Rot. Bonds2

About 6-(trifluoromethyl)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridin-3-amine

6-(trifluoromethyl)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridin-3-amine (PubChem CID 106748835) has the molecular formula C13H13F3N4S and a molecular weight of 314.34 g/mol. Its IUPAC name is 6-(trifluoromethyl)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridin-3-amine.

Molecular Properties

Compound Name6-(trifluoromethyl)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridin-3-amine
PubChem CID106748835
Molecular FormulaC13H13F3N4S
Molecular Weight314.34 g/mol
Exact Mass314.08
IUPAC Name6-(trifluoromethyl)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridin-3-amine
SMILESCc1nc(Sc2cc(C(F)(F)F)ncc2N)nc(C)c1C
InChIInChI=1S/C13H13F3N4S/c1-6-7(2)19-12(20-8(6)3)21-10-4-11(13(14,15)16)18-5-9(10)17/h4-5H,17H2,1-3H3
InChIKeyZRNOVELURGFXSU-UHFFFAOYSA-N
XLogP3.55
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-dimethylphenyl)sulfanyl-6-(trifluoromethyl)pyridin-3-amine
CID 106748723
4-methyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridin-3-amine
CID 79176193
4-cyclopentylsulfanyl-6-(trifluoromethyl)pyridin-3-amine
CID 106748813
4-(cyclopentylmethylsulfanyl)-6-(trifluoromethyl)pyridin-3-amine
CID 106748815
5-methyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridin-3-amine
CID 65039069
6-(trifluoromethyl)-4-(2,3,6-trimethylphenoxy)pyridin-3-amine
CID 106748387
6-methyl-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid
CID 81238533
4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106387726
4-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]pentan-2-ol
CID 106748001
5-amino-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbenzoic acid
CID 65043411
1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]pyrrolidine-3,4-diol
CID 106748167
[4-amino-6-(trifluoromethyl)-3-pyridinyl]carbamic acid
CID 126664814

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridin-3-amine?
The IUPAC name of 6-(trifluoromethyl)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridin-3-amine (CID 106748835) is 6-(trifluoromethyl)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridin-3-amine.
What is the SMILES notation for 6-(trifluoromethyl)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridin-3-amine?
The canonical SMILES for 6-(trifluoromethyl)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridin-3-amine is Cc1nc(Sc2cc(C(F)(F)F)ncc2N)nc(C)c1C.
What is the InChIKey of 6-(trifluoromethyl)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridin-3-amine?
The InChIKey is ZRNOVELURGFXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4S/c1-6-7(2)19-12(20-8(6)3)21-10-4-11(13(14,15)16)18-5-9(10)17/h4-5H,17H2,1-3H3.
What are the key properties of 6-(trifluoromethyl)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridin-3-amine?
6-(trifluoromethyl)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridin-3-amine has a molecular weight of 314.34 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridin-3-amine is sourced from PubChem (CID 106748835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).