5-tert-butylsulfonyl-2-pyridin-2-ylpyrimidin-4-amine

C13H16N4O2S — CID 2778673

IUPAC5-tert-butylsulfonyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCC(C)(C)S(=O)(=O)c1cnc(-c2ccccn2)nc1N
InChIInChI=1S/C13H16N4O2S/c1-13(2,3)20(18,19)10-8-16-12(17-11(10)14)9-6-4-5-7-15-9/h4-8H,1-3H3,(H2,14,16,17)
InChIKeyAFJQTXMEFXBCIN-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.69
Rot. Bonds2

About 5-tert-butylsulfonyl-2-pyridin-2-ylpyrimidin-4-amine

5-tert-butylsulfonyl-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 2778673) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 5-tert-butylsulfonyl-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-tert-butylsulfonyl-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID2778673
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name5-tert-butylsulfonyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCC(C)(C)S(=O)(=O)c1cnc(-c2ccccn2)nc1N
InChIInChI=1S/C13H16N4O2S/c1-13(2,3)20(18,19)10-8-16-12(17-11(10)14)9-6-4-5-7-15-9/h4-8H,1-3H3,(H2,14,16,17)
InChIKeyAFJQTXMEFXBCIN-UHFFFAOYSA-N
XLogP1.69
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butylsulfonyl-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of 5-tert-butylsulfonyl-2-pyridin-2-ylpyrimidin-4-amine (CID 2778673) is 5-tert-butylsulfonyl-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-tert-butylsulfonyl-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-tert-butylsulfonyl-2-pyridin-2-ylpyrimidin-4-amine is CC(C)(C)S(=O)(=O)c1cnc(-c2ccccn2)nc1N.
What is the InChIKey of 5-tert-butylsulfonyl-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is AFJQTXMEFXBCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-13(2,3)20(18,19)10-8-16-12(17-11(10)14)9-6-4-5-7-15-9/h4-8H,1-3H3,(H2,14,16,17).
What are the key properties of 5-tert-butylsulfonyl-2-pyridin-2-ylpyrimidin-4-amine?
5-tert-butylsulfonyl-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 292.36 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butylsulfonyl-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 2778673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).