6-(1-ethylsulfonylpyrrolidin-3-yl)oxy-N,N-dimethylpyrimidin-4-amine

C12H20N4O3S — CID 53185841

IUPAC6-(1-ethylsulfonylpyrrolidin-3-yl)oxy-N,N-dimethylpyrimidin-4-amine
SMILESCCS(=O)(=O)N1CCC(Oc2cc(N(C)C)ncn2)C1
InChIInChI=1S/C12H20N4O3S/c1-4-20(17,18)16-6-5-10(8-16)19-12-7-11(15(2)3)13-9-14-12/h7,9-10H,4-6,8H2,1-3H3
InChIKeyWMVINKFUPREGLN-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.35
Rot. Bonds5

About 6-(1-ethylsulfonylpyrrolidin-3-yl)oxy-N,N-dimethylpyrimidin-4-amine

6-(1-ethylsulfonylpyrrolidin-3-yl)oxy-N,N-dimethylpyrimidin-4-amine (PubChem CID 53185841) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 6-(1-ethylsulfonylpyrrolidin-3-yl)oxy-N,N-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(1-ethylsulfonylpyrrolidin-3-yl)oxy-N,N-dimethylpyrimidin-4-amine
PubChem CID53185841
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name6-(1-ethylsulfonylpyrrolidin-3-yl)oxy-N,N-dimethylpyrimidin-4-amine
SMILESCCS(=O)(=O)N1CCC(Oc2cc(N(C)C)ncn2)C1
InChIInChI=1S/C12H20N4O3S/c1-4-20(17,18)16-6-5-10(8-16)19-12-7-11(15(2)3)13-9-14-12/h7,9-10H,4-6,8H2,1-3H3
InChIKeyWMVINKFUPREGLN-UHFFFAOYSA-N
XLogP0.35
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1-ethylsulfonylpyrrolidin-3-yl)oxy-N,N-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(1-ethylsulfonylpyrrolidin-3-yl)oxy-N,N-dimethylpyrimidin-4-amine (CID 53185841) is 6-(1-ethylsulfonylpyrrolidin-3-yl)oxy-N,N-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(1-ethylsulfonylpyrrolidin-3-yl)oxy-N,N-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(1-ethylsulfonylpyrrolidin-3-yl)oxy-N,N-dimethylpyrimidin-4-amine is CCS(=O)(=O)N1CCC(Oc2cc(N(C)C)ncn2)C1.
What is the InChIKey of 6-(1-ethylsulfonylpyrrolidin-3-yl)oxy-N,N-dimethylpyrimidin-4-amine?
The InChIKey is WMVINKFUPREGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-4-20(17,18)16-6-5-10(8-16)19-12-7-11(15(2)3)13-9-14-12/h7,9-10H,4-6,8H2,1-3H3.
What are the key properties of 6-(1-ethylsulfonylpyrrolidin-3-yl)oxy-N,N-dimethylpyrimidin-4-amine?
6-(1-ethylsulfonylpyrrolidin-3-yl)oxy-N,N-dimethylpyrimidin-4-amine has a molecular weight of 300.38 g/mol, XLogP of 0.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethylsulfonylpyrrolidin-3-yl)oxy-N,N-dimethylpyrimidin-4-amine is sourced from PubChem (CID 53185841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).