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

C10H13F3N4O — CID 66747273

IUPAC4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)pyrimidine
SMILESFC(F)(F)COc1cc(N2CCNCC2)ncn1
InChIInChI=1S/C10H13F3N4O/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
InChIKeyYNCBWRNXDCHKCO-UHFFFAOYSA-N
MW262.23 g/mol
LogP0.83
Rot. Bonds3

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

4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)pyrimidine (PubChem CID 66747273) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is 4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)pyrimidine.

Molecular Properties

Compound Name4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)pyrimidine
PubChem CID66747273
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC Name4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)pyrimidine
SMILESFC(F)(F)COc1cc(N2CCNCC2)ncn1
InChIInChI=1S/C10H13F3N4O/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
InChIKeyYNCBWRNXDCHKCO-UHFFFAOYSA-N
XLogP0.83
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)pyrimidine?
The IUPAC name of 4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)pyrimidine (CID 66747273) is 4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)pyrimidine.
What is the SMILES notation for 4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)pyrimidine?
The canonical SMILES for 4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)pyrimidine is FC(F)(F)COc1cc(N2CCNCC2)ncn1.
What is the InChIKey of 4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)pyrimidine?
The InChIKey is YNCBWRNXDCHKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/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.
What are the key properties of 4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)pyrimidine?
4-piperazin-1-yl-6-(2,2,2-trifluoroethoxy)pyrimidine has a molecular weight of 262.23 g/mol, XLogP of 0.83, 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 is sourced from PubChem (CID 66747273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).