pyrazin-2-yl-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone

C14H13F3N6O — CID 91631535

IUPACpyrazin-2-yl-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESO=C(c1cnccn1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C14H13F3N6O/c15-14(16,17)11-7-12(21-9-20-11)22-3-5-23(6-4-22)13(24)10-8-18-1-2-19-10/h1-2,7-9H,3-6H2
InChIKeyQYZVSYYBUBOWBH-UHFFFAOYSA-N
MW338.29 g/mol
LogP1.25
Rot. Bonds2

About pyrazin-2-yl-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone

pyrazin-2-yl-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 91631535) has the molecular formula C14H13F3N6O and a molecular weight of 338.29 g/mol. Its IUPAC name is pyrazin-2-yl-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namepyrazin-2-yl-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID91631535
Molecular FormulaC14H13F3N6O
Molecular Weight338.29 g/mol
Exact Mass338.11
IUPAC Namepyrazin-2-yl-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESO=C(c1cnccn1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C14H13F3N6O/c15-14(16,17)11-7-12(21-9-20-11)22-3-5-23(6-4-22)13(24)10-8-18-1-2-19-10/h1-2,7-9H,3-6H2
InChIKeyQYZVSYYBUBOWBH-UHFFFAOYSA-N
XLogP1.25
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of pyrazin-2-yl-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of pyrazin-2-yl-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone (CID 91631535) is pyrazin-2-yl-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for pyrazin-2-yl-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for pyrazin-2-yl-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone is O=C(c1cnccn1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1.
What is the InChIKey of pyrazin-2-yl-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is QYZVSYYBUBOWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N6O/c15-14(16,17)11-7-12(21-9-20-11)22-3-5-23(6-4-22)13(24)10-8-18-1-2-19-10/h1-2,7-9H,3-6H2.
What are the key properties of pyrazin-2-yl-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
pyrazin-2-yl-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 338.29 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-yl-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 91631535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).