pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid

C6H7F3N4O2 — CID 69031747

IUPACpyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid
SMILESNc1ccnc(N)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C4H6N4.C2HF3O2/c5-3-1-2-7-4(6)8-3;3-2(4,5)1(6)7/h1-2H,(H4,5,6,7,8);(H,6,7)
InChIKeyUIKBODIYXSRYSV-UHFFFAOYSA-N
MW224.14 g/mol
LogP0.27
Rot. Bonds

About pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid

pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid (PubChem CID 69031747) has the molecular formula C6H7F3N4O2 and a molecular weight of 224.14 g/mol. Its IUPAC name is pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namepyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid
PubChem CID69031747
Molecular FormulaC6H7F3N4O2
Molecular Weight224.14 g/mol
Exact Mass224.05
IUPAC Namepyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid
SMILESNc1ccnc(N)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C4H6N4.C2HF3O2/c5-3-1-2-7-4(6)8-3;3-2(4,5)1(6)7/h1-2H,(H4,5,6,7,8);(H,6,7)
InChIKeyUIKBODIYXSRYSV-UHFFFAOYSA-N
XLogP0.27
TPSA115.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid?
The IUPAC name of pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid (CID 69031747) is pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid is Nc1ccnc(N)n1.O=C(O)C(F)(F)F.
What is the InChIKey of pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid?
The InChIKey is UIKBODIYXSRYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4.C2HF3O2/c5-3-1-2-7-4(6)8-3;3-2(4,5)1(6)7/h1-2H,(H4,5,6,7,8);(H,6,7).
What are the key properties of pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid?
pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid has a molecular weight of 224.14 g/mol, XLogP of 0.27, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69031747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).