2-(1-ethylsulfonylpyrazol-4-yl)pyrimidin-4-amine

C9H11N5O2S — CID 90177635

IUPAC2-(1-ethylsulfonylpyrazol-4-yl)pyrimidin-4-amine
SMILESCCS(=O)(=O)n1cc(-c2nccc(N)n2)cn1
InChIInChI=1S/C9H11N5O2S/c1-2-17(15,16)14-6-7(5-12-14)9-11-4-3-8(10)13-9/h3-6H,2H2,1H3,(H2,10,11,13)
InChIKeyVLDQQQJNBYRCCB-UHFFFAOYSA-N
MW253.29 g/mol
LogP0.12
Rot. Bonds3

About 2-(1-ethylsulfonylpyrazol-4-yl)pyrimidin-4-amine

2-(1-ethylsulfonylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 90177635) has the molecular formula C9H11N5O2S and a molecular weight of 253.29 g/mol. Its IUPAC name is 2-(1-ethylsulfonylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-ethylsulfonylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID90177635
Molecular FormulaC9H11N5O2S
Molecular Weight253.29 g/mol
Exact Mass253.06
IUPAC Name2-(1-ethylsulfonylpyrazol-4-yl)pyrimidin-4-amine
SMILESCCS(=O)(=O)n1cc(-c2nccc(N)n2)cn1
InChIInChI=1S/C9H11N5O2S/c1-2-17(15,16)14-6-7(5-12-14)9-11-4-3-8(10)13-9/h3-6H,2H2,1H3,(H2,10,11,13)
InChIKeyVLDQQQJNBYRCCB-UHFFFAOYSA-N
XLogP0.12
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylsulfonylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 2-(1-ethylsulfonylpyrazol-4-yl)pyrimidin-4-amine (CID 90177635) is 2-(1-ethylsulfonylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-(1-ethylsulfonylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 2-(1-ethylsulfonylpyrazol-4-yl)pyrimidin-4-amine is CCS(=O)(=O)n1cc(-c2nccc(N)n2)cn1.
What is the InChIKey of 2-(1-ethylsulfonylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is VLDQQQJNBYRCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2S/c1-2-17(15,16)14-6-7(5-12-14)9-11-4-3-8(10)13-9/h3-6H,2H2,1H3,(H2,10,11,13).
What are the key properties of 2-(1-ethylsulfonylpyrazol-4-yl)pyrimidin-4-amine?
2-(1-ethylsulfonylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 253.29 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylsulfonylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 90177635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).