4-methoxypyrimidine;2,2,2-trifluoroacetic acid

C7H7F3N2O3 — CID 175861468

IUPAC4-methoxypyrimidine;2,2,2-trifluoroacetic acid
SMILESCOc1ccncn1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H6N2O.C2HF3O2/c1-8-5-2-3-6-4-7-5;3-2(4,5)1(6)7/h2-4H,1H3;(H,6,7)
InChIKeyCGVHEEIAIPXFDF-UHFFFAOYSA-N
MW224.14 g/mol
LogP1.12
Rot. Bonds1

About 4-methoxypyrimidine;2,2,2-trifluoroacetic acid

4-methoxypyrimidine;2,2,2-trifluoroacetic acid (PubChem CID 175861468) has the molecular formula C7H7F3N2O3 and a molecular weight of 224.14 g/mol. Its IUPAC name is 4-methoxypyrimidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-methoxypyrimidine;2,2,2-trifluoroacetic acid
PubChem CID175861468
Molecular FormulaC7H7F3N2O3
Molecular Weight224.14 g/mol
Exact Mass224.04
IUPAC Name4-methoxypyrimidine;2,2,2-trifluoroacetic acid
SMILESCOc1ccncn1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H6N2O.C2HF3O2/c1-8-5-2-3-6-4-7-5;3-2(4,5)1(6)7/h2-4H,1H3;(H,6,7)
InChIKeyCGVHEEIAIPXFDF-UHFFFAOYSA-N
XLogP1.12
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxypyrimidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-methoxypyrimidine;2,2,2-trifluoroacetic acid (CID 175861468) is 4-methoxypyrimidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-methoxypyrimidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-methoxypyrimidine;2,2,2-trifluoroacetic acid is COc1ccncn1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-methoxypyrimidine;2,2,2-trifluoroacetic acid?
The InChIKey is CGVHEEIAIPXFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O.C2HF3O2/c1-8-5-2-3-6-4-7-5;3-2(4,5)1(6)7/h2-4H,1H3;(H,6,7).
What are the key properties of 4-methoxypyrimidine;2,2,2-trifluoroacetic acid?
4-methoxypyrimidine;2,2,2-trifluoroacetic acid has a molecular weight of 224.14 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxypyrimidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175861468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).