6-(5-fluoro-1-phenylpyrazol-4-yl)pyrimidine-2,4-diamine

C13H11FN6 — CID 167923532

IUPAC6-(5-fluoro-1-phenylpyrazol-4-yl)pyrimidine-2,4-diamine
SMILESNc1cc(-c2cnn(-c3ccccc3)c2F)nc(N)n1
InChIInChI=1S/C13H11FN6/c14-12-9(10-6-11(15)19-13(16)18-10)7-17-20(12)8-4-2-1-3-5-8/h1-7H,(H4,15,16,18,19)
InChIKeyUJHAIWYBXIFVEJ-UHFFFAOYSA-N
MW270.27 g/mol
LogP1.63
Rot. Bonds2

About 6-(5-fluoro-1-phenylpyrazol-4-yl)pyrimidine-2,4-diamine

6-(5-fluoro-1-phenylpyrazol-4-yl)pyrimidine-2,4-diamine (PubChem CID 167923532) has the molecular formula C13H11FN6 and a molecular weight of 270.27 g/mol. Its IUPAC name is 6-(5-fluoro-1-phenylpyrazol-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(5-fluoro-1-phenylpyrazol-4-yl)pyrimidine-2,4-diamine
PubChem CID167923532
Molecular FormulaC13H11FN6
Molecular Weight270.27 g/mol
Exact Mass270.10
IUPAC Name6-(5-fluoro-1-phenylpyrazol-4-yl)pyrimidine-2,4-diamine
SMILESNc1cc(-c2cnn(-c3ccccc3)c2F)nc(N)n1
InChIInChI=1S/C13H11FN6/c14-12-9(10-6-11(15)19-13(16)18-10)7-17-20(12)8-4-2-1-3-5-8/h1-7H,(H4,15,16,18,19)
InChIKeyUJHAIWYBXIFVEJ-UHFFFAOYSA-N
XLogP1.63
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-1-phenylpyrazol-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(5-fluoro-1-phenylpyrazol-4-yl)pyrimidine-2,4-diamine (CID 167923532) is 6-(5-fluoro-1-phenylpyrazol-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(5-fluoro-1-phenylpyrazol-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(5-fluoro-1-phenylpyrazol-4-yl)pyrimidine-2,4-diamine is Nc1cc(-c2cnn(-c3ccccc3)c2F)nc(N)n1.
What is the InChIKey of 6-(5-fluoro-1-phenylpyrazol-4-yl)pyrimidine-2,4-diamine?
The InChIKey is UJHAIWYBXIFVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN6/c14-12-9(10-6-11(15)19-13(16)18-10)7-17-20(12)8-4-2-1-3-5-8/h1-7H,(H4,15,16,18,19).
What are the key properties of 6-(5-fluoro-1-phenylpyrazol-4-yl)pyrimidine-2,4-diamine?
6-(5-fluoro-1-phenylpyrazol-4-yl)pyrimidine-2,4-diamine has a molecular weight of 270.27 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-1-phenylpyrazol-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 167923532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).