2-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-4,6-dimethylpyrimidine

C15H21N5O2S — CID 95829889

IUPAC2-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc([C@@H]2CCN(S(=O)(=O)c3cn(C)nc3C)C2)n1
InChIInChI=1S/C15H21N5O2S/c1-10-7-11(2)17-15(16-10)13-5-6-20(8-13)23(21,22)14-9-19(4)18-12(14)3/h7,9,13H,5-6,8H2,1-4H3/t13-/m1/s1
InChIKeyQYSZONMBIDZELZ-CYBMUJFWSA-N
MW335.43 g/mol
LogP1.31
Rot. Bonds3

About 2-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-4,6-dimethylpyrimidine

2-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-4,6-dimethylpyrimidine (PubChem CID 95829889) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-4,6-dimethylpyrimidine
PubChem CID95829889
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name2-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc([C@@H]2CCN(S(=O)(=O)c3cn(C)nc3C)C2)n1
InChIInChI=1S/C15H21N5O2S/c1-10-7-11(2)17-15(16-10)13-5-6-20(8-13)23(21,22)14-9-19(4)18-12(14)3/h7,9,13H,5-6,8H2,1-4H3/t13-/m1/s1
InChIKeyQYSZONMBIDZELZ-CYBMUJFWSA-N
XLogP1.31
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-4,6-dimethylpyrimidine?
The IUPAC name of 2-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-4,6-dimethylpyrimidine (CID 95829889) is 2-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-4,6-dimethylpyrimidine?
The canonical SMILES for 2-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-4,6-dimethylpyrimidine is Cc1cc(C)nc([C@@H]2CCN(S(=O)(=O)c3cn(C)nc3C)C2)n1.
What is the InChIKey of 2-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-4,6-dimethylpyrimidine?
The InChIKey is QYSZONMBIDZELZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-10-7-11(2)17-15(16-10)13-5-6-20(8-13)23(21,22)14-9-19(4)18-12(14)3/h7,9,13H,5-6,8H2,1-4H3/t13-/m1/s1.
What are the key properties of 2-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-4,6-dimethylpyrimidine?
2-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-4,6-dimethylpyrimidine has a molecular weight of 335.43 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-4,6-dimethylpyrimidine is sourced from PubChem (CID 95829889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).