5-tert-butylsulfonyl-2-methylpyrimidin-4-amine

C9H15N3O2S — CID 2778601

IUPAC5-tert-butylsulfonyl-2-methylpyrimidin-4-amine
SMILESCc1ncc(S(=O)(=O)C(C)(C)C)c(N)n1
InChIInChI=1S/C9H15N3O2S/c1-6-11-5-7(8(10)12-6)15(13,14)9(2,3)4/h5H,1-4H3,(H2,10,11,12)
InChIKeyIPPJAHFTVBSZBA-UHFFFAOYSA-N
MW229.31 g/mol
LogP0.94
Rot. Bonds1

About 5-tert-butylsulfonyl-2-methylpyrimidin-4-amine

5-tert-butylsulfonyl-2-methylpyrimidin-4-amine (PubChem CID 2778601) has the molecular formula C9H15N3O2S and a molecular weight of 229.31 g/mol. Its IUPAC name is 5-tert-butylsulfonyl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-tert-butylsulfonyl-2-methylpyrimidin-4-amine
PubChem CID2778601
Molecular FormulaC9H15N3O2S
Molecular Weight229.31 g/mol
Exact Mass229.09
IUPAC Name5-tert-butylsulfonyl-2-methylpyrimidin-4-amine
SMILESCc1ncc(S(=O)(=O)C(C)(C)C)c(N)n1
InChIInChI=1S/C9H15N3O2S/c1-6-11-5-7(8(10)12-6)15(13,14)9(2,3)4/h5H,1-4H3,(H2,10,11,12)
InChIKeyIPPJAHFTVBSZBA-UHFFFAOYSA-N
XLogP0.94
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butylsulfonyl-2-methylpyrimidin-4-amine?
The IUPAC name of 5-tert-butylsulfonyl-2-methylpyrimidin-4-amine (CID 2778601) is 5-tert-butylsulfonyl-2-methylpyrimidin-4-amine.
What is the SMILES notation for 5-tert-butylsulfonyl-2-methylpyrimidin-4-amine?
The canonical SMILES for 5-tert-butylsulfonyl-2-methylpyrimidin-4-amine is Cc1ncc(S(=O)(=O)C(C)(C)C)c(N)n1.
What is the InChIKey of 5-tert-butylsulfonyl-2-methylpyrimidin-4-amine?
The InChIKey is IPPJAHFTVBSZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-6-11-5-7(8(10)12-6)15(13,14)9(2,3)4/h5H,1-4H3,(H2,10,11,12).
What are the key properties of 5-tert-butylsulfonyl-2-methylpyrimidin-4-amine?
5-tert-butylsulfonyl-2-methylpyrimidin-4-amine has a molecular weight of 229.31 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butylsulfonyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 2778601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).