4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)pyrimidine;dihydrochloride

C10H15Cl2F3N4O — CID 66748286

IUPAC4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)pyrimidine;dihydrochloride
SMILESCl.Cl.FC(F)(F)COc1cc(N2CCNCC2)ncn1
InChIInChI=1S/C10H13F3N4O.2ClH/c11-10(12,13)6-18-9-5-8(15-7-16-9)17-3-1-14-2-4-17;;/h5,7,14H,1-4,6H2;2*1H
InChIKeyKREPAAHJFABILN-UHFFFAOYSA-N
MW335.16 g/mol
LogP1.67
Rot. Bonds3

About 4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)pyrimidine;dihydrochloride

4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)pyrimidine;dihydrochloride (PubChem CID 66748286) has the molecular formula C10H15Cl2F3N4O and a molecular weight of 335.16 g/mol. Its IUPAC name is 4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)pyrimidine;dihydrochloride.

Molecular Properties

Compound Name4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)pyrimidine;dihydrochloride
PubChem CID66748286
Molecular FormulaC10H15Cl2F3N4O
Molecular Weight335.16 g/mol
Exact Mass334.06
IUPAC Name4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)pyrimidine;dihydrochloride
SMILESCl.Cl.FC(F)(F)COc1cc(N2CCNCC2)ncn1
InChIInChI=1S/C10H13F3N4O.2ClH/c11-10(12,13)6-18-9-5-8(15-7-16-9)17-3-1-14-2-4-17;;/h5,7,14H,1-4,6H2;2*1H
InChIKeyKREPAAHJFABILN-UHFFFAOYSA-N
XLogP1.67
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.16
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)pyrimidine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)pyrimidine;dihydrochloride?
The IUPAC name of 4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)pyrimidine;dihydrochloride (CID 66748286) is 4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)pyrimidine;dihydrochloride.
What is the SMILES notation for 4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)pyrimidine;dihydrochloride?
The canonical SMILES for 4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)pyrimidine;dihydrochloride is Cl.Cl.FC(F)(F)COc1cc(N2CCNCC2)ncn1.
What is the InChIKey of 4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)pyrimidine;dihydrochloride?
The InChIKey is KREPAAHJFABILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O.2ClH/c11-10(12,13)6-18-9-5-8(15-7-16-9)17-3-1-14-2-4-17;;/h5,7,14H,1-4,6H2;2*1H.
What are the key properties of 4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)pyrimidine;dihydrochloride?
4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)pyrimidine;dihydrochloride has a molecular weight of 335.16 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)pyrimidine;dihydrochloride is sourced from PubChem (CID 66748286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).