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

C10H11N5O2S — CID 90177572

IUPAC2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-amine
SMILESNc1ccnc(-c2cnn(S(=O)(=O)C3CC3)c2)n1
InChIInChI=1S/C10H11N5O2S/c11-9-3-4-12-10(14-9)7-5-13-15(6-7)18(16,17)8-1-2-8/h3-6,8H,1-2H2,(H2,11,12,14)
InChIKeyLGZCTXYBYNYHEJ-UHFFFAOYSA-N
MW265.30 g/mol
LogP0.26
Rot. Bonds3

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

2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 90177572) has the molecular formula C10H11N5O2S and a molecular weight of 265.30 g/mol. Its IUPAC name is 2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID90177572
Molecular FormulaC10H11N5O2S
Molecular Weight265.30 g/mol
Exact Mass265.06
IUPAC Name2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-amine
SMILESNc1ccnc(-c2cnn(S(=O)(=O)C3CC3)c2)n1
InChIInChI=1S/C10H11N5O2S/c11-9-3-4-12-10(14-9)7-5-13-15(6-7)18(16,17)8-1-2-8/h3-6,8H,1-2H2,(H2,11,12,14)
InChIKeyLGZCTXYBYNYHEJ-UHFFFAOYSA-N
XLogP0.26
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-amine (CID 90177572) is 2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-amine is Nc1ccnc(-c2cnn(S(=O)(=O)C3CC3)c2)n1.
What is the InChIKey of 2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is LGZCTXYBYNYHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2S/c11-9-3-4-12-10(14-9)7-5-13-15(6-7)18(16,17)8-1-2-8/h3-6,8H,1-2H2,(H2,11,12,14).
What are the key properties of 2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-amine?
2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 265.30 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 90177572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).