5-chloro-4-piperazin-1-ylpyrimidine;2,2,2-trifluoroacetic acid

C10H12ClF3N4O2 — CID 67401799

IUPAC5-chloro-4-piperazin-1-ylpyrimidine;2,2,2-trifluoroacetic acid
SMILESClc1cncnc1N1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H11ClN4.C2HF3O2/c9-7-5-11-6-12-8(7)13-3-1-10-2-4-13;3-2(4,5)1(6)7/h5-6,10H,1-4H2;(H,6,7)
InChIKeyQOGUKMBZXTVGFK-UHFFFAOYSA-N
MW312.68 g/mol
LogP1.17
Rot. Bonds1

About 5-chloro-4-piperazin-1-ylpyrimidine;2,2,2-trifluoroacetic acid

5-chloro-4-piperazin-1-ylpyrimidine;2,2,2-trifluoroacetic acid (PubChem CID 67401799) has the molecular formula C10H12ClF3N4O2 and a molecular weight of 312.68 g/mol. Its IUPAC name is 5-chloro-4-piperazin-1-ylpyrimidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-chloro-4-piperazin-1-ylpyrimidine;2,2,2-trifluoroacetic acid
PubChem CID67401799
Molecular FormulaC10H12ClF3N4O2
Molecular Weight312.68 g/mol
Exact Mass312.06
IUPAC Name5-chloro-4-piperazin-1-ylpyrimidine;2,2,2-trifluoroacetic acid
SMILESClc1cncnc1N1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H11ClN4.C2HF3O2/c9-7-5-11-6-12-8(7)13-3-1-10-2-4-13;3-2(4,5)1(6)7/h5-6,10H,1-4H2;(H,6,7)
InChIKeyQOGUKMBZXTVGFK-UHFFFAOYSA-N
XLogP1.17
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.68
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-piperazin-1-ylpyrimidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-chloro-4-piperazin-1-ylpyrimidine;2,2,2-trifluoroacetic acid (CID 67401799) is 5-chloro-4-piperazin-1-ylpyrimidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-chloro-4-piperazin-1-ylpyrimidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-chloro-4-piperazin-1-ylpyrimidine;2,2,2-trifluoroacetic acid is Clc1cncnc1N1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 5-chloro-4-piperazin-1-ylpyrimidine;2,2,2-trifluoroacetic acid?
The InChIKey is QOGUKMBZXTVGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4.C2HF3O2/c9-7-5-11-6-12-8(7)13-3-1-10-2-4-13;3-2(4,5)1(6)7/h5-6,10H,1-4H2;(H,6,7).
What are the key properties of 5-chloro-4-piperazin-1-ylpyrimidine;2,2,2-trifluoroacetic acid?
5-chloro-4-piperazin-1-ylpyrimidine;2,2,2-trifluoroacetic acid has a molecular weight of 312.68 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-piperazin-1-ylpyrimidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67401799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).