5-tert-butylsulfonyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine

C13H19N5O2S — CID 2821063

IUPAC5-tert-butylsulfonyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
SMILESCc1cc(C)n(-c2ncc(S(=O)(=O)C(C)(C)C)c(N)n2)n1
InChIInChI=1S/C13H19N5O2S/c1-8-6-9(2)18(17-8)12-15-7-10(11(14)16-12)21(19,20)13(3,4)5/h6-7H,1-5H3,(H2,14,15,16)
InChIKeyHTIZYYBSOXRVQF-UHFFFAOYSA-N
MW309.40 g/mol
LogP1.43
Rot. Bonds2

About 5-tert-butylsulfonyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine

5-tert-butylsulfonyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine (PubChem CID 2821063) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is 5-tert-butylsulfonyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-tert-butylsulfonyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
PubChem CID2821063
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Name5-tert-butylsulfonyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
SMILESCc1cc(C)n(-c2ncc(S(=O)(=O)C(C)(C)C)c(N)n2)n1
InChIInChI=1S/C13H19N5O2S/c1-8-6-9(2)18(17-8)12-15-7-10(11(14)16-12)21(19,20)13(3,4)5/h6-7H,1-5H3,(H2,14,15,16)
InChIKeyHTIZYYBSOXRVQF-UHFFFAOYSA-N
XLogP1.43
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butylsulfonyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine?
The IUPAC name of 5-tert-butylsulfonyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine (CID 2821063) is 5-tert-butylsulfonyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-tert-butylsulfonyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for 5-tert-butylsulfonyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine is Cc1cc(C)n(-c2ncc(S(=O)(=O)C(C)(C)C)c(N)n2)n1.
What is the InChIKey of 5-tert-butylsulfonyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine?
The InChIKey is HTIZYYBSOXRVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-8-6-9(2)18(17-8)12-15-7-10(11(14)16-12)21(19,20)13(3,4)5/h6-7H,1-5H3,(H2,14,15,16).
What are the key properties of 5-tert-butylsulfonyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine?
5-tert-butylsulfonyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine has a molecular weight of 309.40 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butylsulfonyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 2821063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).