6-[1-(benzenesulfonyl)pyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine

C16H20N4O2S — CID 110113647

IUPAC6-[1-(benzenesulfonyl)pyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine
SMILESCNc1cc(C2CCCN2S(=O)(=O)c2ccccc2)nc(C)n1
InChIInChI=1S/C16H20N4O2S/c1-12-18-14(11-16(17-2)19-12)15-9-6-10-20(15)23(21,22)13-7-4-3-5-8-13/h3-5,7-8,11,15H,6,9-10H2,1-2H3,(H,17,18,19)
InChIKeyNVGZEBPVTHPMFX-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.35
Rot. Bonds4

About 6-[1-(benzenesulfonyl)pyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine

6-[1-(benzenesulfonyl)pyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine (PubChem CID 110113647) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 6-[1-(benzenesulfonyl)pyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[1-(benzenesulfonyl)pyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine
PubChem CID110113647
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name6-[1-(benzenesulfonyl)pyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine
SMILESCNc1cc(C2CCCN2S(=O)(=O)c2ccccc2)nc(C)n1
InChIInChI=1S/C16H20N4O2S/c1-12-18-14(11-16(17-2)19-12)15-9-6-10-20(15)23(21,22)13-7-4-3-5-8-13/h3-5,7-8,11,15H,6,9-10H2,1-2H3,(H,17,18,19)
InChIKeyNVGZEBPVTHPMFX-UHFFFAOYSA-N
XLogP2.35
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine
CID 125000616
6-[1-(benzenesulfonyl)pyrrolidin-2-yl]-2-methylpyrimidin-4-amine
CID 110091079
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-[1-(benzenesulfonyl)pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-4,6-dimethylpyrimidin-2-amine
CID 110262789
N,2-dimethyl-6-(1-morpholin-4-ylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine
CID 110113612
7-[1-(benzenesulfonyl)piperidin-2-yl]-5-methylimidazo[1,2-a]pyrimidine
CID 110118141
N-[[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]-6-(methylamino)pyrimidin-4-yl]methyl]-N-methylacetamide
CID 110092328
6-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-methylpyrazin-2-amine
CID 118740204
N,2-dimethyl-6-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrimidin-4-amine
CID 124986346
5-methyl-N-[2-methyl-6-[(2S)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 125002477

Frequently Asked Questions

What is the IUPAC name of 6-[1-(benzenesulfonyl)pyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine?
The IUPAC name of 6-[1-(benzenesulfonyl)pyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine (CID 110113647) is 6-[1-(benzenesulfonyl)pyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-[1-(benzenesulfonyl)pyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-[1-(benzenesulfonyl)pyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine is CNc1cc(C2CCCN2S(=O)(=O)c2ccccc2)nc(C)n1.
What is the InChIKey of 6-[1-(benzenesulfonyl)pyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine?
The InChIKey is NVGZEBPVTHPMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-12-18-14(11-16(17-2)19-12)15-9-6-10-20(15)23(21,22)13-7-4-3-5-8-13/h3-5,7-8,11,15H,6,9-10H2,1-2H3,(H,17,18,19).
What are the key properties of 6-[1-(benzenesulfonyl)pyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine?
6-[1-(benzenesulfonyl)pyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine has a molecular weight of 332.43 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(benzenesulfonyl)pyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine is sourced from PubChem (CID 110113647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).