5-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine

C15H12F6N6O — CID 10294729

IUPAC5-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine
SMILESCc1cnc(-c2cc(C(F)(F)F)nn2C)nc1Oc1cc(C(F)(F)F)nn1C
InChIInChI=1S/C15H12F6N6O/c1-7-6-22-12(8-4-9(14(16,17)18)24-26(8)2)23-13(7)28-11-5-10(15(19,20)21)25-27(11)3/h4-6H,1-3H3
InChIKeyXHEFUWCUNPOAMH-UHFFFAOYSA-N
MW406.29 g/mol
LogP3.75
Rot. Bonds3

About 5-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine

5-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine (PubChem CID 10294729) has the molecular formula C15H12F6N6O and a molecular weight of 406.29 g/mol. Its IUPAC name is 5-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine.

Molecular Properties

Compound Name5-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine
PubChem CID10294729
Molecular FormulaC15H12F6N6O
Molecular Weight406.29 g/mol
Exact Mass406.10
IUPAC Name5-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine
SMILESCc1cnc(-c2cc(C(F)(F)F)nn2C)nc1Oc1cc(C(F)(F)F)nn1C
InChIInChI=1S/C15H12F6N6O/c1-7-6-22-12(8-4-9(14(16,17)18)24-26(8)2)23-13(7)28-11-5-10(15(19,20)21)25-27(11)3/h4-6H,1-3H3
InChIKeyXHEFUWCUNPOAMH-UHFFFAOYSA-N
XLogP3.75
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.29
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine?
The IUPAC name of 5-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine (CID 10294729) is 5-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine.
What is the SMILES notation for 5-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine?
The canonical SMILES for 5-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine is Cc1cnc(-c2cc(C(F)(F)F)nn2C)nc1Oc1cc(C(F)(F)F)nn1C.
What is the InChIKey of 5-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine?
The InChIKey is XHEFUWCUNPOAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F6N6O/c1-7-6-22-12(8-4-9(14(16,17)18)24-26(8)2)23-13(7)28-11-5-10(15(19,20)21)25-27(11)3/h4-6H,1-3H3.
What are the key properties of 5-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine?
5-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine has a molecular weight of 406.29 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyrimidine is sourced from PubChem (CID 10294729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).