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

C10H11F3N4O — CID 110833891

IUPACpiperazin-1-yl-[2-(trifluoromethyl)pyrimidin-4-yl]methanone
SMILESO=C(c1ccnc(C(F)(F)F)n1)N1CCNCC1
InChIInChI=1S/C10H11F3N4O/c11-10(12,13)9-15-2-1-7(16-9)8(18)17-5-3-14-4-6-17/h1-2,14H,3-6H2
InChIKeyBLNGWXOPCBFBEP-UHFFFAOYSA-N
MW260.22 g/mol
LogP0.54
Rot. Bonds1

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

piperazin-1-yl-[2-(trifluoromethyl)pyrimidin-4-yl]methanone (PubChem CID 110833891) has the molecular formula C10H11F3N4O and a molecular weight of 260.22 g/mol. Its IUPAC name is piperazin-1-yl-[2-(trifluoromethyl)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Namepiperazin-1-yl-[2-(trifluoromethyl)pyrimidin-4-yl]methanone
PubChem CID110833891
Molecular FormulaC10H11F3N4O
Molecular Weight260.22 g/mol
Exact Mass260.09
IUPAC Namepiperazin-1-yl-[2-(trifluoromethyl)pyrimidin-4-yl]methanone
SMILESO=C(c1ccnc(C(F)(F)F)n1)N1CCNCC1
InChIInChI=1S/C10H11F3N4O/c11-10(12,13)9-15-2-1-7(16-9)8(18)17-5-3-14-4-6-17/h1-2,14H,3-6H2
InChIKeyBLNGWXOPCBFBEP-UHFFFAOYSA-N
XLogP0.54
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl-[2-(trifluoromethyl)pyrimidin-4-yl]methanone?
The IUPAC name of piperazin-1-yl-[2-(trifluoromethyl)pyrimidin-4-yl]methanone (CID 110833891) is piperazin-1-yl-[2-(trifluoromethyl)pyrimidin-4-yl]methanone.
What is the SMILES notation for piperazin-1-yl-[2-(trifluoromethyl)pyrimidin-4-yl]methanone?
The canonical SMILES for piperazin-1-yl-[2-(trifluoromethyl)pyrimidin-4-yl]methanone is O=C(c1ccnc(C(F)(F)F)n1)N1CCNCC1.
What is the InChIKey of piperazin-1-yl-[2-(trifluoromethyl)pyrimidin-4-yl]methanone?
The InChIKey is BLNGWXOPCBFBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O/c11-10(12,13)9-15-2-1-7(16-9)8(18)17-5-3-14-4-6-17/h1-2,14H,3-6H2.
What are the key properties of piperazin-1-yl-[2-(trifluoromethyl)pyrimidin-4-yl]methanone?
piperazin-1-yl-[2-(trifluoromethyl)pyrimidin-4-yl]methanone has a molecular weight of 260.22 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-[2-(trifluoromethyl)pyrimidin-4-yl]methanone is sourced from PubChem (CID 110833891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).