2-piperazin-1-yl-4-(trifluoromethyl)pyrimidine;dihydrochloride

C9H13Cl2F3N4 — CID 138040796

IUPAC2-piperazin-1-yl-4-(trifluoromethyl)pyrimidine;dihydrochloride
SMILESCl.Cl.FC(F)(F)c1ccnc(N2CCNCC2)n1
InChIInChI=1S/C9H11F3N4.2ClH/c10-9(11,12)7-1-2-14-8(15-7)16-5-3-13-4-6-16;;/h1-2,13H,3-6H2;2*1H
InChIKeyAWHRDCNJGGZFLS-UHFFFAOYSA-N
MW305.13 g/mol
LogP1.75
Rot. Bonds1

About 2-piperazin-1-yl-4-(trifluoromethyl)pyrimidine;dihydrochloride

2-piperazin-1-yl-4-(trifluoromethyl)pyrimidine;dihydrochloride (PubChem CID 138040796) has the molecular formula C9H13Cl2F3N4 and a molecular weight of 305.13 g/mol. Its IUPAC name is 2-piperazin-1-yl-4-(trifluoromethyl)pyrimidine;dihydrochloride.

Molecular Properties

Compound Name2-piperazin-1-yl-4-(trifluoromethyl)pyrimidine;dihydrochloride
PubChem CID138040796
Molecular FormulaC9H13Cl2F3N4
Molecular Weight305.13 g/mol
Exact Mass304.05
IUPAC Name2-piperazin-1-yl-4-(trifluoromethyl)pyrimidine;dihydrochloride
SMILESCl.Cl.FC(F)(F)c1ccnc(N2CCNCC2)n1
InChIInChI=1S/C9H11F3N4.2ClH/c10-9(11,12)7-1-2-14-8(15-7)16-5-3-13-4-6-16;;/h1-2,13H,3-6H2;2*1H
InChIKeyAWHRDCNJGGZFLS-UHFFFAOYSA-N
XLogP1.75
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.13
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-4-(trifluoromethyl)pyrimidine;dihydrochloride?
The IUPAC name of 2-piperazin-1-yl-4-(trifluoromethyl)pyrimidine;dihydrochloride (CID 138040796) is 2-piperazin-1-yl-4-(trifluoromethyl)pyrimidine;dihydrochloride.
What is the SMILES notation for 2-piperazin-1-yl-4-(trifluoromethyl)pyrimidine;dihydrochloride?
The canonical SMILES for 2-piperazin-1-yl-4-(trifluoromethyl)pyrimidine;dihydrochloride is Cl.Cl.FC(F)(F)c1ccnc(N2CCNCC2)n1.
What is the InChIKey of 2-piperazin-1-yl-4-(trifluoromethyl)pyrimidine;dihydrochloride?
The InChIKey is AWHRDCNJGGZFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4.2ClH/c10-9(11,12)7-1-2-14-8(15-7)16-5-3-13-4-6-16;;/h1-2,13H,3-6H2;2*1H.
What are the key properties of 2-piperazin-1-yl-4-(trifluoromethyl)pyrimidine;dihydrochloride?
2-piperazin-1-yl-4-(trifluoromethyl)pyrimidine;dihydrochloride has a molecular weight of 305.13 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-4-(trifluoromethyl)pyrimidine;dihydrochloride is sourced from PubChem (CID 138040796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).