1-[4-[(2R)-1-cyclopentylsulfonylpyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-N,N-dimethylmethanamine

C17H28N4O2S — CID 124958910

IUPAC1-[4-[(2R)-1-cyclopentylsulfonylpyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-N,N-dimethylmethanamine
SMILESCc1ncc(CN(C)C)c([C@H]2CCCN2S(=O)(=O)C2CCCC2)n1
InChIInChI=1S/C17H28N4O2S/c1-13-18-11-14(12-20(2)3)17(19-13)16-9-6-10-21(16)24(22,23)15-7-4-5-8-15/h11,15-16H,4-10,12H2,1-3H3/t16-/m1/s1
InChIKeyGJKPIFNSOYYICU-MRXNPFEDSA-N
MW352.50 g/mol
LogP2.26
Rot. Bonds5

About 1-[4-[(2R)-1-cyclopentylsulfonylpyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-N,N-dimethylmethanamine

1-[4-[(2R)-1-cyclopentylsulfonylpyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-N,N-dimethylmethanamine (PubChem CID 124958910) has the molecular formula C17H28N4O2S and a molecular weight of 352.50 g/mol. Its IUPAC name is 1-[4-[(2R)-1-cyclopentylsulfonylpyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[4-[(2R)-1-cyclopentylsulfonylpyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-N,N-dimethylmethanamine
PubChem CID124958910
Molecular FormulaC17H28N4O2S
Molecular Weight352.50 g/mol
Exact Mass352.19
IUPAC Name1-[4-[(2R)-1-cyclopentylsulfonylpyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-N,N-dimethylmethanamine
SMILESCc1ncc(CN(C)C)c([C@H]2CCCN2S(=O)(=O)C2CCCC2)n1
InChIInChI=1S/C17H28N4O2S/c1-13-18-11-14(12-20(2)3)17(19-13)16-9-6-10-21(16)24(22,23)15-7-4-5-8-15/h11,15-16H,4-10,12H2,1-3H3/t16-/m1/s1
InChIKeyGJKPIFNSOYYICU-MRXNPFEDSA-N
XLogP2.26
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-N-methylacetamide
CID 110116753
N-[2-[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 110116801
1-[2-[(2R)-1-cyclohexylsulfonylpyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine
CID 124941723
N,N-dimethyl-1-[2-methyl-4-[1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]pyrimidin-5-yl]methanamine
CID 110116781
N,N-dimethyl-1-[2-methyl-4-[(2S)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrimidin-5-yl]methanamine
CID 124969108
1-[(2S)-2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 125014018
[(2S)-2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 124957607
[2-[5-[(dimethylamino)methyl]-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 110116761
N,N-dimethyl-1-[2-methyl-4-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]pyrimidin-5-yl]methanamine
CID 110116763
N-[[2-methyl-4-(1-propylsulfonylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]acetamide
CID 110116834
1-[4-[(2R)-1-cyclopropylsulfonylpiperidin-2-yl]phenyl]-N,N-dimethylmethanamine
CID 95728051
1-[4-[1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-N,N-dimethylmethanamine
CID 110116785

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R)-1-cyclopentylsulfonylpyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[4-[(2R)-1-cyclopentylsulfonylpyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-N,N-dimethylmethanamine (CID 124958910) is 1-[4-[(2R)-1-cyclopentylsulfonylpyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[4-[(2R)-1-cyclopentylsulfonylpyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[4-[(2R)-1-cyclopentylsulfonylpyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-N,N-dimethylmethanamine is Cc1ncc(CN(C)C)c([C@H]2CCCN2S(=O)(=O)C2CCCC2)n1.
What is the InChIKey of 1-[4-[(2R)-1-cyclopentylsulfonylpyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-N,N-dimethylmethanamine?
The InChIKey is GJKPIFNSOYYICU-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H28N4O2S/c1-13-18-11-14(12-20(2)3)17(19-13)16-9-6-10-21(16)24(22,23)15-7-4-5-8-15/h11,15-16H,4-10,12H2,1-3H3/t16-/m1/s1.
What are the key properties of 1-[4-[(2R)-1-cyclopentylsulfonylpyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-N,N-dimethylmethanamine?
1-[4-[(2R)-1-cyclopentylsulfonylpyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-N,N-dimethylmethanamine has a molecular weight of 352.50 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2R)-1-cyclopentylsulfonylpyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 124958910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).