4-tert-butylsulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine

C14H14F3N3S — CID 134115580

IUPAC4-tert-butylsulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine
SMILESCC(C)(C)Sc1cc(C(F)(F)F)nc(-c2ccccn2)n1
InChIInChI=1S/C14H14F3N3S/c1-13(2,3)21-11-8-10(14(15,16)17)19-12(20-11)9-6-4-5-7-18-9/h4-8H,1-3H3
InChIKeyVAXFCUPQMHLEFA-UHFFFAOYSA-N
MW313.35 g/mol
LogP4.45
Rot. Bonds2

About 4-tert-butylsulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine

4-tert-butylsulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine (PubChem CID 134115580) has the molecular formula C14H14F3N3S and a molecular weight of 313.35 g/mol. Its IUPAC name is 4-tert-butylsulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-tert-butylsulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine
PubChem CID134115580
Molecular FormulaC14H14F3N3S
Molecular Weight313.35 g/mol
Exact Mass313.09
IUPAC Name4-tert-butylsulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine
SMILESCC(C)(C)Sc1cc(C(F)(F)F)nc(-c2ccccn2)n1
InChIInChI=1S/C14H14F3N3S/c1-13(2,3)21-11-8-10(14(15,16)17)19-12(20-11)9-6-4-5-7-18-9/h4-8H,1-3H3
InChIKeyVAXFCUPQMHLEFA-UHFFFAOYSA-N
XLogP4.45
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methoxyphenyl)methylsulfanyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine
CID 133311585
N,N-dimethyl-5-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 133294081
N,N-diethyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 1475718
N-benzyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 1475716
4-pyridin-2-yl-2,6-bis(trifluoromethyl)pyridine
CID 122219942
N-(3,5-dichlorophenyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 2730488
3-[methyl-[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanenitrile
CID 133370478
4-(2-chlorophenoxy)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine
CID 1478446
2-(2-chlorophenyl)-1-[[2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
CID 133472167
2,4,6-tripyridin-2-ylpyrimidine
CID 70005539
2-pyridin-2-yl-6-(trifluoromethyl)pyridine
CID 72771068
2-pyridin-2-yl-N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 95323276

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylsulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-tert-butylsulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine (CID 134115580) is 4-tert-butylsulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-tert-butylsulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-tert-butylsulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine is CC(C)(C)Sc1cc(C(F)(F)F)nc(-c2ccccn2)n1.
What is the InChIKey of 4-tert-butylsulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine?
The InChIKey is VAXFCUPQMHLEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3S/c1-13(2,3)21-11-8-10(14(15,16)17)19-12(20-11)9-6-4-5-7-18-9/h4-8H,1-3H3.
What are the key properties of 4-tert-butylsulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine?
4-tert-butylsulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine has a molecular weight of 313.35 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylsulfanyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 134115580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).