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

C12H20N4O2S — CID 2778663

IUPAC5-tert-butylsulfonyl-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCC(C)(C)S(=O)(=O)c1cnc(N2CCCC2)nc1N
InChIInChI=1S/C12H20N4O2S/c1-12(2,3)19(17,18)9-8-14-11(15-10(9)13)16-6-4-5-7-16/h8H,4-7H2,1-3H3,(H2,13,14,15)
InChIKeyQTPZUUASXILXDO-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.23
Rot. Bonds2

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

5-tert-butylsulfonyl-2-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 2778663) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 5-tert-butylsulfonyl-2-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-tert-butylsulfonyl-2-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID2778663
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name5-tert-butylsulfonyl-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCC(C)(C)S(=O)(=O)c1cnc(N2CCCC2)nc1N
InChIInChI=1S/C12H20N4O2S/c1-12(2,3)19(17,18)9-8-14-11(15-10(9)13)16-6-4-5-7-16/h8H,4-7H2,1-3H3,(H2,13,14,15)
InChIKeyQTPZUUASXILXDO-UHFFFAOYSA-N
XLogP1.23
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.23
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-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of 5-tert-butylsulfonyl-2-pyrrolidin-1-ylpyrimidin-4-amine (CID 2778663) is 5-tert-butylsulfonyl-2-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for 5-tert-butylsulfonyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for 5-tert-butylsulfonyl-2-pyrrolidin-1-ylpyrimidin-4-amine is CC(C)(C)S(=O)(=O)c1cnc(N2CCCC2)nc1N.
What is the InChIKey of 5-tert-butylsulfonyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is QTPZUUASXILXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-12(2,3)19(17,18)9-8-14-11(15-10(9)13)16-6-4-5-7-16/h8H,4-7H2,1-3H3,(H2,13,14,15).
What are the key properties of 5-tert-butylsulfonyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
5-tert-butylsulfonyl-2-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 284.38 g/mol, XLogP of 1.23, 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-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 2778663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).