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

C15H19F3N4O — CID 91631625

IUPACcyclobutyl-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCc1nc(N2CCN(C(=O)C3CCC3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C15H19F3N4O/c1-10-19-12(15(16,17)18)9-13(20-10)21-5-7-22(8-6-21)14(23)11-3-2-4-11/h9,11H,2-8H2,1H3
InChIKeyRIJRFUBULQHBGL-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.25
Rot. Bonds2

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

cyclobutyl-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 91631625) has the molecular formula C15H19F3N4O and a molecular weight of 328.34 g/mol. Its IUPAC name is cyclobutyl-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID91631625
Molecular FormulaC15H19F3N4O
Molecular Weight328.34 g/mol
Exact Mass328.15
IUPAC Namecyclobutyl-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCc1nc(N2CCN(C(=O)C3CCC3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C15H19F3N4O/c1-10-19-12(15(16,17)18)9-13(20-10)21-5-7-22(8-6-21)14(23)11-3-2-4-11/h9,11H,2-8H2,1H3
InChIKeyRIJRFUBULQHBGL-UHFFFAOYSA-N
XLogP2.25
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone (CID 91631625) is cyclobutyl-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone is Cc1nc(N2CCN(C(=O)C3CCC3)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of cyclobutyl-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is RIJRFUBULQHBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O/c1-10-19-12(15(16,17)18)9-13(20-10)21-5-7-22(8-6-21)14(23)11-3-2-4-11/h9,11H,2-8H2,1H3.
What are the key properties of cyclobutyl-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
cyclobutyl-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 328.34 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 91631625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).