6-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine

C16H19FN4O2S — CID 125000616

IUPAC6-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine
SMILESCNc1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)nc(C)n1
InChIInChI=1S/C16H19FN4O2S/c1-11-19-14(10-16(18-2)20-11)15-4-3-9-21(15)24(22,23)13-7-5-12(17)6-8-13/h5-8,10,15H,3-4,9H2,1-2H3,(H,18,19,20)/t15-/m0/s1
InChIKeyRXAKCTYOCHCFBT-HNNXBMFYSA-N
MW350.42 g/mol
LogP2.49
Rot. Bonds4

About 6-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine

6-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine (PubChem CID 125000616) has the molecular formula C16H19FN4O2S and a molecular weight of 350.42 g/mol. Its IUPAC name is 6-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine
PubChem CID125000616
Molecular FormulaC16H19FN4O2S
Molecular Weight350.42 g/mol
Exact Mass350.12
IUPAC Name6-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine
SMILESCNc1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)nc(C)n1
InChIInChI=1S/C16H19FN4O2S/c1-11-19-14(10-16(18-2)20-11)15-4-3-9-21(15)24(22,23)13-7-5-12(17)6-8-13/h5-8,10,15H,3-4,9H2,1-2H3,(H,18,19,20)/t15-/m0/s1
InChIKeyRXAKCTYOCHCFBT-HNNXBMFYSA-N
XLogP2.49
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[1-(benzenesulfonyl)pyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine
CID 110113647
N,2-dimethyl-6-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine
CID 110113666
N,2-dimethyl-6-[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]pyrimidin-4-amine
CID 124960237
N,2-dimethyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidin-4-amine
CID 124998979
N,2-dimethyl-6-(1-morpholin-4-ylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine
CID 110113612
6-[1-(benzenesulfonyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-amine
CID 110091079
6-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-methylpyrazin-2-amine
CID 118740204
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 25498073
3-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92893927
N-(4-fluorophenyl)-2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-amine
CID 110271569
2-benzyl-6-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 110254506
6-[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
CID 95836223

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine?
The IUPAC name of 6-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine (CID 125000616) is 6-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine is CNc1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)nc(C)n1.
What is the InChIKey of 6-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine?
The InChIKey is RXAKCTYOCHCFBT-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H19FN4O2S/c1-11-19-14(10-16(18-2)20-11)15-4-3-9-21(15)24(22,23)13-7-5-12(17)6-8-13/h5-8,10,15H,3-4,9H2,1-2H3,(H,18,19,20)/t15-/m0/s1.
What are the key properties of 6-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine?
6-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine has a molecular weight of 350.42 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine is sourced from PubChem (CID 125000616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).