pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid

C7H6F3N3O3 — CID 68869705

IUPACpyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)c1ncccn1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H5N3O.C2HF3O2/c6-4(9)5-7-2-1-3-8-5;3-2(4,5)1(6)7/h1-3H,(H2,6,9);(H,6,7)
InChIKeyGPLGVOCIXDXKCK-UHFFFAOYSA-N
MW237.14 g/mol
LogP0.21
Rot. Bonds1

About pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid

pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 68869705) has the molecular formula C7H6F3N3O3 and a molecular weight of 237.14 g/mol. Its IUPAC name is pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namepyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID68869705
Molecular FormulaC7H6F3N3O3
Molecular Weight237.14 g/mol
Exact Mass237.04
IUPAC Namepyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)c1ncccn1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H5N3O.C2HF3O2/c6-4(9)5-7-2-1-3-8-5;3-2(4,5)1(6)7/h1-3H,(H2,6,9);(H,6,7)
InChIKeyGPLGVOCIXDXKCK-UHFFFAOYSA-N
XLogP0.21
TPSA106.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.14
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 68869705) is pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid is NC(=O)c1ncccn1.O=C(O)C(F)(F)F.
What is the InChIKey of pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is GPLGVOCIXDXKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O.C2HF3O2/c6-4(9)5-7-2-1-3-8-5;3-2(4,5)1(6)7/h1-3H,(H2,6,9);(H,6,7).
What are the key properties of pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid?
pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 237.14 g/mol, XLogP of 0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68869705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).