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

C8H8FN5S — CID 80892562

IUPAC5-fluoro-4-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine
SMILESCn1cc(Sc2nc(N)ncc2F)cn1
InChIInChI=1S/C8H8FN5S/c1-14-4-5(2-12-14)15-7-6(9)3-11-8(10)13-7/h2-4H,1H3,(H2,10,11,13)
InChIKeyRGMZYGFLNBEARQ-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.08
Rot. Bonds2

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

5-fluoro-4-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine (PubChem CID 80892562) has the molecular formula C8H8FN5S and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-fluoro-4-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine
PubChem CID80892562
Molecular FormulaC8H8FN5S
Molecular Weight225.25 g/mol
Exact Mass225.05
IUPAC Name5-fluoro-4-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine
SMILESCn1cc(Sc2nc(N)ncc2F)cn1
InChIInChI=1S/C8H8FN5S/c1-14-4-5(2-12-14)15-7-6(9)3-11-8(10)13-7/h2-4H,1H3,(H2,10,11,13)
InChIKeyRGMZYGFLNBEARQ-UHFFFAOYSA-N
XLogP1.08
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine (CID 80892562) is 5-fluoro-4-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine is Cn1cc(Sc2nc(N)ncc2F)cn1.
What is the InChIKey of 5-fluoro-4-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine?
The InChIKey is RGMZYGFLNBEARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN5S/c1-14-4-5(2-12-14)15-7-6(9)3-11-8(10)13-7/h2-4H,1H3,(H2,10,11,13).
What are the key properties of 5-fluoro-4-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine?
5-fluoro-4-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine has a molecular weight of 225.25 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine is sourced from PubChem (CID 80892562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).