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

C10H11N5OS — CID 129271023

IUPAC2-(1-cyclopropylsulfinylpyrazol-4-yl)pyrimidin-4-amine
SMILESNc1ccnc(-c2cnn(S(=O)C3CC3)c2)n1
InChIInChI=1S/C10H11N5OS/c11-9-3-4-12-10(14-9)7-5-13-15(6-7)17(16)8-1-2-8/h3-6,8H,1-2H2,(H2,11,12,14)
InChIKeyMESFNTWKCNCFMO-UHFFFAOYSA-N
MW249.30 g/mol
LogP0.60
Rot. Bonds3

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

2-(1-cyclopropylsulfinylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 129271023) has the molecular formula C10H11N5OS and a molecular weight of 249.30 g/mol. Its IUPAC name is 2-(1-cyclopropylsulfinylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-cyclopropylsulfinylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID129271023
Molecular FormulaC10H11N5OS
Molecular Weight249.30 g/mol
Exact Mass249.07
IUPAC Name2-(1-cyclopropylsulfinylpyrazol-4-yl)pyrimidin-4-amine
SMILESNc1ccnc(-c2cnn(S(=O)C3CC3)c2)n1
InChIInChI=1S/C10H11N5OS/c11-9-3-4-12-10(14-9)7-5-13-15(6-7)17(16)8-1-2-8/h3-6,8H,1-2H2,(H2,11,12,14)
InChIKeyMESFNTWKCNCFMO-UHFFFAOYSA-N
XLogP0.60
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylsulfinylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 2-(1-cyclopropylsulfinylpyrazol-4-yl)pyrimidin-4-amine (CID 129271023) is 2-(1-cyclopropylsulfinylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-(1-cyclopropylsulfinylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 2-(1-cyclopropylsulfinylpyrazol-4-yl)pyrimidin-4-amine is Nc1ccnc(-c2cnn(S(=O)C3CC3)c2)n1.
What is the InChIKey of 2-(1-cyclopropylsulfinylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is MESFNTWKCNCFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5OS/c11-9-3-4-12-10(14-9)7-5-13-15(6-7)17(16)8-1-2-8/h3-6,8H,1-2H2,(H2,11,12,14).
What are the key properties of 2-(1-cyclopropylsulfinylpyrazol-4-yl)pyrimidin-4-amine?
2-(1-cyclopropylsulfinylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 249.30 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylsulfinylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 129271023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).