5-tert-butylsulfonyl-2-piperidin-1-ylpyrimidin-4-amine

C13H22N4O2S — CID 2778670

IUPAC5-tert-butylsulfonyl-2-piperidin-1-ylpyrimidin-4-amine
SMILESCC(C)(C)S(=O)(=O)c1cnc(N2CCCCC2)nc1N
InChIInChI=1S/C13H22N4O2S/c1-13(2,3)20(18,19)10-9-15-12(16-11(10)14)17-7-5-4-6-8-17/h9H,4-8H2,1-3H3,(H2,14,15,16)
InChIKeyHQQKBPGIADJWIF-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.62
Rot. Bonds2

About 5-tert-butylsulfonyl-2-piperidin-1-ylpyrimidin-4-amine

5-tert-butylsulfonyl-2-piperidin-1-ylpyrimidin-4-amine (PubChem CID 2778670) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 5-tert-butylsulfonyl-2-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-tert-butylsulfonyl-2-piperidin-1-ylpyrimidin-4-amine
PubChem CID2778670
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name5-tert-butylsulfonyl-2-piperidin-1-ylpyrimidin-4-amine
SMILESCC(C)(C)S(=O)(=O)c1cnc(N2CCCCC2)nc1N
InChIInChI=1S/C13H22N4O2S/c1-13(2,3)20(18,19)10-9-15-12(16-11(10)14)17-7-5-4-6-8-17/h9H,4-8H2,1-3H3,(H2,14,15,16)
InChIKeyHQQKBPGIADJWIF-UHFFFAOYSA-N
XLogP1.62
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.62
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-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of 5-tert-butylsulfonyl-2-piperidin-1-ylpyrimidin-4-amine (CID 2778670) is 5-tert-butylsulfonyl-2-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for 5-tert-butylsulfonyl-2-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for 5-tert-butylsulfonyl-2-piperidin-1-ylpyrimidin-4-amine is CC(C)(C)S(=O)(=O)c1cnc(N2CCCCC2)nc1N.
What is the InChIKey of 5-tert-butylsulfonyl-2-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is HQQKBPGIADJWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-13(2,3)20(18,19)10-9-15-12(16-11(10)14)17-7-5-4-6-8-17/h9H,4-8H2,1-3H3,(H2,14,15,16).
What are the key properties of 5-tert-butylsulfonyl-2-piperidin-1-ylpyrimidin-4-amine?
5-tert-butylsulfonyl-2-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 298.41 g/mol, XLogP of 1.62, 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-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 2778670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).