[4-amino-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl] thiohypofluorite

C8H9FN6S — CID 163281177

IUPAC[4-amino-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl] thiohypofluorite
SMILESCn1cc(Nc2ncc(SF)c(N)n2)cn1
InChIInChI=1S/C8H9FN6S/c1-15-4-5(2-12-15)13-8-11-3-6(16-9)7(10)14-8/h2-4H,1H3,(H3,10,11,13,14)
InChIKeyOQPDRKQZPNZGHS-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.51
Rot. Bonds3

About [4-amino-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl] thiohypofluorite

[4-amino-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl] thiohypofluorite (PubChem CID 163281177) has the molecular formula C8H9FN6S and a molecular weight of 240.27 g/mol. Its IUPAC name is [4-amino-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl] thiohypofluorite.

Molecular Properties

Compound Name[4-amino-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl] thiohypofluorite
PubChem CID163281177
Molecular FormulaC8H9FN6S
Molecular Weight240.27 g/mol
Exact Mass240.06
IUPAC Name[4-amino-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl] thiohypofluorite
SMILESCn1cc(Nc2ncc(SF)c(N)n2)cn1
InChIInChI=1S/C8H9FN6S/c1-15-4-5(2-12-15)13-8-11-3-6(16-9)7(10)14-8/h2-4H,1H3,(H3,10,11,13,14)
InChIKeyOQPDRKQZPNZGHS-UHFFFAOYSA-N
XLogP1.51
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [4-amino-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl] thiohypofluorite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl] thiohypofluorite?
The IUPAC name of [4-amino-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl] thiohypofluorite (CID 163281177) is [4-amino-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl] thiohypofluorite.
What is the SMILES notation for [4-amino-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl] thiohypofluorite?
The canonical SMILES for [4-amino-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl] thiohypofluorite is Cn1cc(Nc2ncc(SF)c(N)n2)cn1.
What is the InChIKey of [4-amino-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl] thiohypofluorite?
The InChIKey is OQPDRKQZPNZGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN6S/c1-15-4-5(2-12-15)13-8-11-3-6(16-9)7(10)14-8/h2-4H,1H3,(H3,10,11,13,14).
What are the key properties of [4-amino-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl] thiohypofluorite?
[4-amino-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl] thiohypofluorite has a molecular weight of 240.27 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl] thiohypofluorite is sourced from PubChem (CID 163281177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).