N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]ethanesulfonamide

C12H20N4O2S — CID 71807407

IUPACN-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1nc(C)cc(N2CCCC2)n1
InChIInChI=1S/C12H20N4O2S/c1-3-19(17,18)13-9-11-14-10(2)8-12(15-11)16-6-4-5-7-16/h8,13H,3-7,9H2,1-2H3
InChIKeyGAMYOUBFJFFCLK-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.82
Rot. Bonds5

About N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]ethanesulfonamide

N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]ethanesulfonamide (PubChem CID 71807407) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]ethanesulfonamide
PubChem CID71807407
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC NameN-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1nc(C)cc(N2CCCC2)n1
InChIInChI=1S/C12H20N4O2S/c1-3-19(17,18)13-9-11-14-10(2)8-12(15-11)16-6-4-5-7-16/h8,13H,3-7,9H2,1-2H3
InChIKeyGAMYOUBFJFFCLK-UHFFFAOYSA-N
XLogP0.82
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 24994945
(2-Amino-6-methyl-4-pyrrolidin-1-ylpyrimidin-1-ium-1-yl) sulfate
CID 12923281
N-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
CID 40104034
6-methyl-4-N-propan-2-yl-2-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine
CID 46225991
N,N,6-trimethyl-2-pyrrolidin-2-ylpyrimidin-4-amine
CID 66509978
N-((4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl)methyl)propane-1-sulfonamide
CID 71807408
N-((4-methyl-6-(piperidin-1-yl)pyrimidin-2-yl)methyl)ethanesulfonamide
CID 71807438
N-((4-methyl-6-morpholinopyrimidin-2-yl)methyl)ethanesulfonamide
CID 71807469
N-[1-[2,6-di(propan-2-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanesulfonamide
CID 75434715
1-[2,6-di(propan-2-yl)pyrimidin-4-yl]-N-methylpyrrolidine-3-sulfonamide
CID 84591969
N-ethyl-6-methyl-2-(4-(propylsulfonyl)piperazin-1-yl)pyrimidin-4-amine
CID 31481356
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
CID 45808518

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]ethanesulfonamide?
The IUPAC name of N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]ethanesulfonamide (CID 71807407) is N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]ethanesulfonamide.
What is the SMILES notation for N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]ethanesulfonamide?
The canonical SMILES for N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]ethanesulfonamide is CCS(=O)(=O)NCc1nc(C)cc(N2CCCC2)n1.
What is the InChIKey of N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]ethanesulfonamide?
The InChIKey is GAMYOUBFJFFCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-3-19(17,18)13-9-11-14-10(2)8-12(15-11)16-6-4-5-7-16/h8,13H,3-7,9H2,1-2H3.
What are the key properties of N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]ethanesulfonamide?
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]ethanesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 71807407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).