4-methyl-6-pyrimidin-2-ylsulfanyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine

C13H9F3N6S — CID 70986050

IUPAC4-methyl-6-pyrimidin-2-ylsulfanyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
SMILESCc1cc(Sc2ncccn2)nc(-n2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C13H9F3N6S/c1-8-7-10(23-12-17-4-2-5-18-12)20-11(19-8)22-6-3-9(21-22)13(14,15)16/h2-7H,1H3
InChIKeyWRYWMLHPJFUVQC-UHFFFAOYSA-N
MW338.32 g/mol
LogP2.93
Rot. Bonds3

About 4-methyl-6-pyrimidin-2-ylsulfanyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine

4-methyl-6-pyrimidin-2-ylsulfanyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine (PubChem CID 70986050) has the molecular formula C13H9F3N6S and a molecular weight of 338.32 g/mol. Its IUPAC name is 4-methyl-6-pyrimidin-2-ylsulfanyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methyl-6-pyrimidin-2-ylsulfanyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
PubChem CID70986050
Molecular FormulaC13H9F3N6S
Molecular Weight338.32 g/mol
Exact Mass338.06
IUPAC Name4-methyl-6-pyrimidin-2-ylsulfanyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
SMILESCc1cc(Sc2ncccn2)nc(-n2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C13H9F3N6S/c1-8-7-10(23-12-17-4-2-5-18-12)20-11(19-8)22-6-3-9(21-22)13(14,15)16/h2-7H,1H3
InChIKeyWRYWMLHPJFUVQC-UHFFFAOYSA-N
XLogP2.93
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-pyrimidin-2-ylsulfanyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The IUPAC name of 4-methyl-6-pyrimidin-2-ylsulfanyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine (CID 70986050) is 4-methyl-6-pyrimidin-2-ylsulfanyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine.
What is the SMILES notation for 4-methyl-6-pyrimidin-2-ylsulfanyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The canonical SMILES for 4-methyl-6-pyrimidin-2-ylsulfanyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine is Cc1cc(Sc2ncccn2)nc(-n2ccc(C(F)(F)F)n2)n1.
What is the InChIKey of 4-methyl-6-pyrimidin-2-ylsulfanyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The InChIKey is WRYWMLHPJFUVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N6S/c1-8-7-10(23-12-17-4-2-5-18-12)20-11(19-8)22-6-3-9(21-22)13(14,15)16/h2-7H,1H3.
What are the key properties of 4-methyl-6-pyrimidin-2-ylsulfanyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
4-methyl-6-pyrimidin-2-ylsulfanyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine has a molecular weight of 338.32 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-pyrimidin-2-ylsulfanyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine is sourced from PubChem (CID 70986050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).