5-fluoro-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine

C8H8FN5 — CID 130593537

IUPAC5-fluoro-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine
SMILESCn1cc(-c2ncc(F)c(N)n2)cn1
InChIInChI=1S/C8H8FN5/c1-14-4-5(2-12-14)8-11-3-6(9)7(10)13-8/h2-4H,1H3,(H2,10,11,13)
InChIKeyXXFQUNFCOCZJCJ-UHFFFAOYSA-N
MW193.19 g/mol
LogP0.60
Rot. Bonds1

About 5-fluoro-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine

5-fluoro-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 130593537) has the molecular formula C8H8FN5 and a molecular weight of 193.19 g/mol. Its IUPAC name is 5-fluoro-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID130593537
Molecular FormulaC8H8FN5
Molecular Weight193.19 g/mol
Exact Mass193.08
IUPAC Name5-fluoro-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine
SMILESCn1cc(-c2ncc(F)c(N)n2)cn1
InChIInChI=1S/C8H8FN5/c1-14-4-5(2-12-14)8-11-3-6(9)7(10)13-8/h2-4H,1H3,(H2,10,11,13)
InChIKeyXXFQUNFCOCZJCJ-UHFFFAOYSA-N
XLogP0.60
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine (CID 130593537) is 5-fluoro-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine is Cn1cc(-c2ncc(F)c(N)n2)cn1.
What is the InChIKey of 5-fluoro-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is XXFQUNFCOCZJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN5/c1-14-4-5(2-12-14)8-11-3-6(9)7(10)13-8/h2-4H,1H3,(H2,10,11,13).
What are the key properties of 5-fluoro-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
5-fluoro-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 193.19 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 130593537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).