N-[2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]ethyl]methanesulfonamide

C12H20N4O2S — CID 110259041

IUPACN-[2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]ethyl]methanesulfonamide
SMILESCc1nccc(N2CCCC2CCNS(C)(=O)=O)n1
InChIInChI=1S/C12H20N4O2S/c1-10-13-7-6-12(15-10)16-9-3-4-11(16)5-8-14-19(2,17)18/h6-7,11,14H,3-5,8-9H2,1-2H3
InChIKeyMOWPDVPLQFYONY-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.69
Rot. Bonds5

About N-[2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]ethyl]methanesulfonamide

N-[2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]ethyl]methanesulfonamide (PubChem CID 110259041) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]ethyl]methanesulfonamide
PubChem CID110259041
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC NameN-[2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]ethyl]methanesulfonamide
SMILESCc1nccc(N2CCCC2CCNS(C)(=O)=O)n1
InChIInChI=1S/C12H20N4O2S/c1-10-13-7-6-12(15-10)16-9-3-4-11(16)5-8-14-19(2,17)18/h6-7,11,14H,3-5,8-9H2,1-2H3
InChIKeyMOWPDVPLQFYONY-UHFFFAOYSA-N
XLogP0.69
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 ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 58227085
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyrimidin-2-amine
CID 58227157
N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 58227252
N-butyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 58227326
4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyrimidin-2-amine
CID 118725542
4-N-(3-aminopentyl)pyrimidine-2,4-diamine
CID 49856818
2-[4-[[Cyclohexyl(methyl)sulfamoyl]amino]piperidin-1-yl]pyrimidine
CID 47064852
4-N-ethyl-2-N-(1-methylsulfonylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 50960313
4-(4-(Methylsulfonyl)piperazin-1-yl)-2-(pyrrolidin-1-yl)pyrimidine
CID 70703168
4-(4-(Propylsulfonyl)piperazin-1-yl)-2-(pyrrolidin-1-yl)pyrimidine
CID 70703312
N-[[1-(2-tert-butylpyrimidin-4-yl)piperidin-2-yl]methyl]methanesulfonamide
CID 71978146
N~1~-[(3R*,4S*)-4-cyclopropyl-1-(2-methyl-4-pyrimidinyl)-3-pyrrolidinyl]-N~2~-(methylsulfonyl)glycinamide
CID 72846165

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]ethyl]methanesulfonamide (CID 110259041) is N-[2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]ethyl]methanesulfonamide is Cc1nccc(N2CCCC2CCNS(C)(=O)=O)n1.
What is the InChIKey of N-[2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]ethyl]methanesulfonamide?
The InChIKey is MOWPDVPLQFYONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-10-13-7-6-12(15-10)16-9-3-4-11(16)5-8-14-19(2,17)18/h6-7,11,14H,3-5,8-9H2,1-2H3.
What are the key properties of N-[2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]ethyl]methanesulfonamide?
N-[2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]ethyl]methanesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 110259041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).