2-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-4-amine

C9H11N5S — CID 116798270

IUPAC2-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-4-amine
SMILESCc1cc(Sc2nccc(N)n2)n(C)n1
InChIInChI=1S/C9H11N5S/c1-6-5-8(14(2)13-6)15-9-11-4-3-7(10)12-9/h3-5H,1-2H3,(H2,10,11,12)
InChIKeyIZSOPDXZSFVRKT-UHFFFAOYSA-N
MW221.29 g/mol
LogP1.25
Rot. Bonds2

About 2-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-4-amine

2-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-4-amine (PubChem CID 116798270) has the molecular formula C9H11N5S and a molecular weight of 221.29 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-4-amine
PubChem CID116798270
Molecular FormulaC9H11N5S
Molecular Weight221.29 g/mol
Exact Mass221.07
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-4-amine
SMILESCc1cc(Sc2nccc(N)n2)n(C)n1
InChIInChI=1S/C9H11N5S/c1-6-5-8(14(2)13-6)15-9-11-4-3-7(10)12-9/h3-5H,1-2H3,(H2,10,11,12)
InChIKeyIZSOPDXZSFVRKT-UHFFFAOYSA-N
XLogP1.25
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-4-amine?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-4-amine (CID 116798270) is 2-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-4-amine.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-4-amine?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-4-amine is Cc1cc(Sc2nccc(N)n2)n(C)n1.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-4-amine?
The InChIKey is IZSOPDXZSFVRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5S/c1-6-5-8(14(2)13-6)15-9-11-4-3-7(10)12-9/h3-5H,1-2H3,(H2,10,11,12).
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-4-amine?
2-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-4-amine has a molecular weight of 221.29 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-4-amine is sourced from PubChem (CID 116798270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).