pyrimidin-4-amine;2,2,2-trifluoroacetic acid

C6H6F3N3O2 — CID 69377392

IUPACpyrimidin-4-amine;2,2,2-trifluoroacetic acid
SMILESNc1ccncn1.O=C(O)C(F)(F)F
InChIInChI=1S/C4H5N3.C2HF3O2/c5-4-1-2-6-3-7-4;3-2(4,5)1(6)7/h1-3H,(H2,5,6,7);(H,6,7)
InChIKeyGJBMMTLBKPKPGY-UHFFFAOYSA-N
MW209.13 g/mol
LogP0.69
Rot. Bonds

About pyrimidin-4-amine;2,2,2-trifluoroacetic acid

pyrimidin-4-amine;2,2,2-trifluoroacetic acid (PubChem CID 69377392) has the molecular formula C6H6F3N3O2 and a molecular weight of 209.13 g/mol. Its IUPAC name is pyrimidin-4-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namepyrimidin-4-amine;2,2,2-trifluoroacetic acid
PubChem CID69377392
Molecular FormulaC6H6F3N3O2
Molecular Weight209.13 g/mol
Exact Mass209.04
IUPAC Namepyrimidin-4-amine;2,2,2-trifluoroacetic acid
SMILESNc1ccncn1.O=C(O)C(F)(F)F
InChIInChI=1S/C4H5N3.C2HF3O2/c5-4-1-2-6-3-7-4;3-2(4,5)1(6)7/h1-3H,(H2,5,6,7);(H,6,7)
InChIKeyGJBMMTLBKPKPGY-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

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Frequently Asked Questions

What is the IUPAC name of pyrimidin-4-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of pyrimidin-4-amine;2,2,2-trifluoroacetic acid (CID 69377392) is pyrimidin-4-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for pyrimidin-4-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for pyrimidin-4-amine;2,2,2-trifluoroacetic acid is Nc1ccncn1.O=C(O)C(F)(F)F.
What is the InChIKey of pyrimidin-4-amine;2,2,2-trifluoroacetic acid?
The InChIKey is GJBMMTLBKPKPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3.C2HF3O2/c5-4-1-2-6-3-7-4;3-2(4,5)1(6)7/h1-3H,(H2,5,6,7);(H,6,7).
What are the key properties of pyrimidin-4-amine;2,2,2-trifluoroacetic acid?
pyrimidin-4-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-4-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69377392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).