N-[[2-methyl-4-(1-propylsulfonylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]acetamide

C15H24N4O3S — CID 110116834

IUPACN-[[2-methyl-4-(1-propylsulfonylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]acetamide
SMILESCCCS(=O)(=O)N1CCCC1c1nc(C)ncc1CNC(C)=O
InChIInChI=1S/C15H24N4O3S/c1-4-8-23(21,22)19-7-5-6-14(19)15-13(10-17-12(3)20)9-16-11(2)18-15/h9,14H,4-8,10H2,1-3H3,(H,17,20)
InChIKeyJQZCZEZEVQBHDC-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.30
Rot. Bonds6

About N-[[2-methyl-4-(1-propylsulfonylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]acetamide

N-[[2-methyl-4-(1-propylsulfonylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]acetamide (PubChem CID 110116834) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[[2-methyl-4-(1-propylsulfonylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-methyl-4-(1-propylsulfonylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]acetamide
PubChem CID110116834
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC NameN-[[2-methyl-4-(1-propylsulfonylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]acetamide
SMILESCCCS(=O)(=O)N1CCCC1c1nc(C)ncc1CNC(C)=O
InChIInChI=1S/C15H24N4O3S/c1-4-8-23(21,22)19-7-5-6-14(19)15-13(10-17-12(3)20)9-16-11(2)18-15/h9,14H,4-8,10H2,1-3H3,(H,17,20)
InChIKeyJQZCZEZEVQBHDC-UHFFFAOYSA-N
XLogP1.30
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-methyl-4-(1-propylsulfonylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-2-methylpyrimidin-5-yl]methyl]acetamide
CID 124956996
N-[[2-methyl-4-[(2R)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 124997828
N-[[2-methyl-4-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 124985573
N-[[2-methyl-4-[1-(3-methylpyridine-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 110095709
N-[[4-(1-acetylpyrrolidin-2-yl)-2-methylpyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide
CID 110117382
1-[4-[(2R)-1-cyclopentylsulfonylpyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-N,N-dimethylmethanamine
CID 124958910
N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 125019389
2-(4-chlorophenyl)-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 125022456
N-[[4-[(2S)-1-ethylsulfonylpyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125013312
4-ethyl-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]thiadiazole-5-carboxamide
CID 125018109
N-[[4-(1-acetylpyrrolidin-2-yl)-2-methylpyrimidin-5-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 110119109
N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-4-carboxamide
CID 124947769

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-4-(1-propylsulfonylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[2-methyl-4-(1-propylsulfonylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]acetamide (CID 110116834) is N-[[2-methyl-4-(1-propylsulfonylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-methyl-4-(1-propylsulfonylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[2-methyl-4-(1-propylsulfonylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]acetamide is CCCS(=O)(=O)N1CCCC1c1nc(C)ncc1CNC(C)=O.
What is the InChIKey of N-[[2-methyl-4-(1-propylsulfonylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]acetamide?
The InChIKey is JQZCZEZEVQBHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-4-8-23(21,22)19-7-5-6-14(19)15-13(10-17-12(3)20)9-16-11(2)18-15/h9,14H,4-8,10H2,1-3H3,(H,17,20).
What are the key properties of N-[[2-methyl-4-(1-propylsulfonylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]acetamide?
N-[[2-methyl-4-(1-propylsulfonylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]acetamide has a molecular weight of 340.45 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-4-(1-propylsulfonylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]acetamide is sourced from PubChem (CID 110116834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).