pyrimidin-2-amine;2,2,2-trifluoroacetic acid

C6H6F3N3O2 — CID 12866295

IUPACpyrimidin-2-amine;2,2,2-trifluoroacetic acid
SMILESNc1ncccn1.O=C(O)C(F)(F)F
InChIInChI=1S/C4H5N3.C2HF3O2/c5-4-6-2-1-3-7-4;3-2(4,5)1(6)7/h1-3H,(H2,5,6,7);(H,6,7)
InChIKeyBJYQHNKSZXZIMS-UHFFFAOYSA-N
MW209.13 g/mol
LogP0.69
Rot. Bonds

About pyrimidin-2-amine;2,2,2-trifluoroacetic acid

pyrimidin-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 12866295) has the molecular formula C6H6F3N3O2 and a molecular weight of 209.13 g/mol. Its IUPAC name is pyrimidin-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namepyrimidin-2-amine;2,2,2-trifluoroacetic acid
PubChem CID12866295
Molecular FormulaC6H6F3N3O2
Molecular Weight209.13 g/mol
Exact Mass209.04
IUPAC Namepyrimidin-2-amine;2,2,2-trifluoroacetic acid
SMILESNc1ncccn1.O=C(O)C(F)(F)F
InChIInChI=1S/C4H5N3.C2HF3O2/c5-4-6-2-1-3-7-4;3-2(4,5)1(6)7/h1-3H,(H2,5,6,7);(H,6,7)
InChIKeyBJYQHNKSZXZIMS-UHFFFAOYSA-N
XLogP0.69
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.13
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze pyrimidin-2-amine;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Pyrimidin-2-ylthio)acetic acid
CID 581022
Pyrimidine-2-carboxylic acid
CID 12626245
1-(2-Pyrimidinyl)-3-(2,2,2-trifluoroethyl)urea
CID 659628
3-[(Pyrimidin-2-yl)amino]propanoic acid
CID 10511282
4-Fluoropyrimidin-2-amine
CID 21791020
2-(Pyrimidin-2-yloxy)acetic acid
CID 566272
4-N-(3-aminopropyl)-2-N-(2,2-dimethylpropyl)pyrimidine-2,4-diamine;bis(2,2,2-trifluoroacetic acid)
CID 155512724
2-Pyrimidineacetic Acid
CID 12367098
2-((Pyrimidin-2-yl)amino)acetic acid
CID 16228214
4-Aminopyrimidine-2-carboxylic acid
CID 22172594
3,3,3-trifluoro-2-methyl-N-(pyrimidin-2-yl)-2-(trifluoromethyl)propanamide
CID 1931180
2-(2,2,2-Trifluoroethoxy)pyrimidine
CID 20162082

Frequently Asked Questions

What is the IUPAC name of pyrimidin-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of pyrimidin-2-amine;2,2,2-trifluoroacetic acid (CID 12866295) is pyrimidin-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for pyrimidin-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for pyrimidin-2-amine;2,2,2-trifluoroacetic acid is Nc1ncccn1.O=C(O)C(F)(F)F.
What is the InChIKey of pyrimidin-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is BJYQHNKSZXZIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3.C2HF3O2/c5-4-6-2-1-3-7-4;3-2(4,5)1(6)7/h1-3H,(H2,5,6,7);(H,6,7).
What are the key properties of pyrimidin-2-amine;2,2,2-trifluoroacetic acid?
pyrimidin-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 209.13 g/mol, XLogP of 0.69, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidin-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 12866295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).