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

C13H22N4O2S — CID 71807408

IUPACN-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1nc(C)cc(N2CCCC2)n1
InChIInChI=1S/C13H22N4O2S/c1-3-8-20(18,19)14-10-12-15-11(2)9-13(16-12)17-6-4-5-7-17/h9,14H,3-8,10H2,1-2H3
InChIKeyYDSXBOCFCRQMCW-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.21
Rot. Bonds6

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

N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propane-1-sulfonamide (PubChem CID 71807408) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propane-1-sulfonamide
PubChem CID71807408
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC NameN-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1nc(C)cc(N2CCCC2)n1
InChIInChI=1S/C13H22N4O2S/c1-3-8-20(18,19)14-10-12-15-11(2)9-13(16-12)17-6-4-5-7-17/h9,14H,3-8,10H2,1-2H3
InChIKeyYDSXBOCFCRQMCW-UHFFFAOYSA-N
XLogP1.21
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.21
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)ethanesulfonamide
CID 71807407
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]propane-1-sulfonamide?
The IUPAC name of N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propane-1-sulfonamide (CID 71807408) is N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propane-1-sulfonamide?
The canonical SMILES for N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCc1nc(C)cc(N2CCCC2)n1.
What is the InChIKey of N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propane-1-sulfonamide?
The InChIKey is YDSXBOCFCRQMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-3-8-20(18,19)14-10-12-15-11(2)9-13(16-12)17-6-4-5-7-17/h9,14H,3-8,10H2,1-2H3.
What are the key properties of N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propane-1-sulfonamide?
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propane-1-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.21, 6 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]propane-1-sulfonamide is sourced from PubChem (CID 71807408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).