6-[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine

C18H17FN6O2S — CID 95836223

IUPAC6-[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCC[C@@H]1c1cncc(Nc2ncccn2)n1
InChIInChI=1S/C18H17FN6O2S/c19-13-4-6-14(7-5-13)28(26,27)25-10-1-3-16(25)15-11-20-12-17(23-15)24-18-21-8-2-9-22-18/h2,4-9,11-12,16H,1,3,10H2,(H,21,22,23,24)/t16-/m1/s1
InChIKeyAPRVBCPKKAXGAV-MRXNPFEDSA-N
MW400.44 g/mol
LogP2.68
Rot. Bonds5

About 6-[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine

6-[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine (PubChem CID 95836223) has the molecular formula C18H17FN6O2S and a molecular weight of 400.44 g/mol. Its IUPAC name is 6-[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine.

Molecular Properties

Compound Name6-[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
PubChem CID95836223
Molecular FormulaC18H17FN6O2S
Molecular Weight400.44 g/mol
Exact Mass400.11
IUPAC Name6-[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCC[C@@H]1c1cncc(Nc2ncccn2)n1
InChIInChI=1S/C18H17FN6O2S/c19-13-4-6-14(7-5-13)28(26,27)25-10-1-3-16(25)15-11-20-12-17(23-15)24-18-21-8-2-9-22-18/h2,4-9,11-12,16H,1,3,10H2,(H,21,22,23,24)/t16-/m1/s1
InChIKeyAPRVBCPKKAXGAV-MRXNPFEDSA-N
XLogP2.68
TPSA100.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine?
The IUPAC name of 6-[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine (CID 95836223) is 6-[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine.
What is the SMILES notation for 6-[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine?
The canonical SMILES for 6-[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine is O=S(=O)(c1ccc(F)cc1)N1CCC[C@@H]1c1cncc(Nc2ncccn2)n1.
What is the InChIKey of 6-[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine?
The InChIKey is APRVBCPKKAXGAV-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H17FN6O2S/c19-13-4-6-14(7-5-13)28(26,27)25-10-1-3-16(25)15-11-20-12-17(23-15)24-18-21-8-2-9-22-18/h2,4-9,11-12,16H,1,3,10H2,(H,21,22,23,24)/t16-/m1/s1.
What are the key properties of 6-[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine?
6-[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine has a molecular weight of 400.44 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine is sourced from PubChem (CID 95836223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).