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

C11H15F3N4O3 — CID 170306212

IUPAC4-methoxy-5-piperazin-1-ylpyrimidine;2,2,2-trifluoroacetic acid
SMILESCOc1ncncc1N1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H14N4O.C2HF3O2/c1-14-9-8(6-11-7-12-9)13-4-2-10-3-5-13;3-2(4,5)1(6)7/h6-7,10H,2-5H2,1H3;(H,6,7)
InChIKeyPYHUBQMQQIBRHI-UHFFFAOYSA-N
MW308.26 g/mol
LogP0.53
Rot. Bonds2

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

4-methoxy-5-piperazin-1-ylpyrimidine;2,2,2-trifluoroacetic acid (PubChem CID 170306212) has the molecular formula C11H15F3N4O3 and a molecular weight of 308.26 g/mol. Its IUPAC name is 4-methoxy-5-piperazin-1-ylpyrimidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-methoxy-5-piperazin-1-ylpyrimidine;2,2,2-trifluoroacetic acid
PubChem CID170306212
Molecular FormulaC11H15F3N4O3
Molecular Weight308.26 g/mol
Exact Mass308.11
IUPAC Name4-methoxy-5-piperazin-1-ylpyrimidine;2,2,2-trifluoroacetic acid
SMILESCOc1ncncc1N1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H14N4O.C2HF3O2/c1-14-9-8(6-11-7-12-9)13-4-2-10-3-5-13;3-2(4,5)1(6)7/h6-7,10H,2-5H2,1H3;(H,6,7)
InChIKeyPYHUBQMQQIBRHI-UHFFFAOYSA-N
XLogP0.53
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-piperazin-1-ylpyrimidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-methoxy-5-piperazin-1-ylpyrimidine;2,2,2-trifluoroacetic acid (CID 170306212) is 4-methoxy-5-piperazin-1-ylpyrimidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-methoxy-5-piperazin-1-ylpyrimidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-methoxy-5-piperazin-1-ylpyrimidine;2,2,2-trifluoroacetic acid is COc1ncncc1N1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-methoxy-5-piperazin-1-ylpyrimidine;2,2,2-trifluoroacetic acid?
The InChIKey is PYHUBQMQQIBRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O.C2HF3O2/c1-14-9-8(6-11-7-12-9)13-4-2-10-3-5-13;3-2(4,5)1(6)7/h6-7,10H,2-5H2,1H3;(H,6,7).
What are the key properties of 4-methoxy-5-piperazin-1-ylpyrimidine;2,2,2-trifluoroacetic acid?
4-methoxy-5-piperazin-1-ylpyrimidine;2,2,2-trifluoroacetic acid has a molecular weight of 308.26 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-piperazin-1-ylpyrimidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 170306212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).