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

C8H8FN5 — CID 115749967

IUPAC5-fluoro-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
SMILESCn1cc(Nc2ncc(F)cn2)cn1
InChIInChI=1S/C8H8FN5/c1-14-5-7(4-12-14)13-8-10-2-6(9)3-11-8/h2-5H,1H3,(H,10,11,13)
InChIKeyTVYOMLWGYROOFP-UHFFFAOYSA-N
MW193.19 g/mol
LogP1.09
Rot. Bonds2

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

5-fluoro-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine (PubChem CID 115749967) has the molecular formula C8H8FN5 and a molecular weight of 193.19 g/mol. Its IUPAC name is 5-fluoro-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
PubChem CID115749967
Molecular FormulaC8H8FN5
Molecular Weight193.19 g/mol
Exact Mass193.08
IUPAC Name5-fluoro-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
SMILESCn1cc(Nc2ncc(F)cn2)cn1
InChIInChI=1S/C8H8FN5/c1-14-5-7(4-12-14)13-8-10-2-6(9)3-11-8/h2-5H,1H3,(H,10,11,13)
InChIKeyTVYOMLWGYROOFP-UHFFFAOYSA-N
XLogP1.09
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine (CID 115749967) is 5-fluoro-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine is Cn1cc(Nc2ncc(F)cn2)cn1.
What is the InChIKey of 5-fluoro-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is TVYOMLWGYROOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN5/c1-14-5-7(4-12-14)13-8-10-2-6(9)3-11-8/h2-5H,1H3,(H,10,11,13).
What are the key properties of 5-fluoro-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine?
5-fluoro-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 193.19 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 115749967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).