N,5-dimethyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-amine

C12H11F3N4S — CID 80882858

IUPACN,5-dimethyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-amine
SMILESCNc1ncnc(Sc2ccc(C(F)(F)F)cn2)c1C
InChIInChI=1S/C12H11F3N4S/c1-7-10(16-2)18-6-19-11(7)20-9-4-3-8(5-17-9)12(13,14)15/h3-6H,1-2H3,(H,16,18,19)
InChIKeyKWIUILBLFBFYBW-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.39
Rot. Bonds3

About N,5-dimethyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-amine

N,5-dimethyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-amine (PubChem CID 80882858) has the molecular formula C12H11F3N4S and a molecular weight of 300.31 g/mol. Its IUPAC name is N,5-dimethyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,5-dimethyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-amine
PubChem CID80882858
Molecular FormulaC12H11F3N4S
Molecular Weight300.31 g/mol
Exact Mass300.07
IUPAC NameN,5-dimethyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-amine
SMILESCNc1ncnc(Sc2ccc(C(F)(F)F)cn2)c1C
InChIInChI=1S/C12H11F3N4S/c1-7-10(16-2)18-6-19-11(7)20-9-4-3-8(5-17-9)12(13,14)15/h3-6H,1-2H3,(H,16,18,19)
InChIKeyKWIUILBLFBFYBW-UHFFFAOYSA-N
XLogP3.39
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine
CID 66319385
5-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridin-3-amine
CID 66281341
4-chloro-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,5-triazin-2-amine
CID 80882220
[5-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-pyridinyl]methanamine
CID 80639286
[6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-yl]hydrazine
CID 80930751
trimethyl-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]silane
CID 640487
N,5-dimethyl-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80892356
2,3,5-trichloro-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine
CID 102752250
3,6-dichloro-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,2,4-triazine
CID 81038239
2-chloro-5-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine
CID 79076312
[4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]thiophen-3-yl]methanethiol
CID 20623707
N,5-dimethyl-6-(2-nitrophenyl)sulfanylpyrimidin-4-amine
CID 80884707

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-amine?
The IUPAC name of N,5-dimethyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-amine (CID 80882858) is N,5-dimethyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-amine.
What is the SMILES notation for N,5-dimethyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-amine?
The canonical SMILES for N,5-dimethyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-amine is CNc1ncnc(Sc2ccc(C(F)(F)F)cn2)c1C.
What is the InChIKey of N,5-dimethyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-amine?
The InChIKey is KWIUILBLFBFYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4S/c1-7-10(16-2)18-6-19-11(7)20-9-4-3-8(5-17-9)12(13,14)15/h3-6H,1-2H3,(H,16,18,19).
What are the key properties of N,5-dimethyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-amine?
N,5-dimethyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-amine has a molecular weight of 300.31 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-amine is sourced from PubChem (CID 80882858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).