N-methyl-N-[(5-pyridin-2-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide

C16H21N5O2S — CID 46967015

IUPACN-methyl-N-[(5-pyridin-2-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide
SMILESCN(Cc1nc(N2CCCC2)ncc1-c1ccccn1)S(C)(=O)=O
InChIInChI=1S/C16H21N5O2S/c1-20(24(2,22)23)12-15-13(14-7-3-4-8-17-14)11-18-16(19-15)21-9-5-6-10-21/h3-4,7-8,11H,5-6,9-10,12H2,1-2H3
InChIKeyPIFGTMBDIQFQCE-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.53
Rot. Bonds5

About N-methyl-N-[(5-pyridin-2-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide

N-methyl-N-[(5-pyridin-2-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide (PubChem CID 46967015) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-methyl-N-[(5-pyridin-2-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(5-pyridin-2-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide
PubChem CID46967015
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC NameN-methyl-N-[(5-pyridin-2-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide
SMILESCN(Cc1nc(N2CCCC2)ncc1-c1ccccn1)S(C)(=O)=O
InChIInChI=1S/C16H21N5O2S/c1-20(24(2,22)23)12-15-13(14-7-3-4-8-17-14)11-18-16(19-15)21-9-5-6-10-21/h3-4,7-8,11H,5-6,9-10,12H2,1-2H3
InChIKeyPIFGTMBDIQFQCE-UHFFFAOYSA-N
XLogP1.53
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-pyridin-2-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[(5-pyridin-2-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide (CID 46967015) is N-methyl-N-[(5-pyridin-2-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[(5-pyridin-2-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[(5-pyridin-2-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide is CN(Cc1nc(N2CCCC2)ncc1-c1ccccn1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[(5-pyridin-2-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide?
The InChIKey is PIFGTMBDIQFQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-20(24(2,22)23)12-15-13(14-7-3-4-8-17-14)11-18-16(19-15)21-9-5-6-10-21/h3-4,7-8,11H,5-6,9-10,12H2,1-2H3.
What are the key properties of N-methyl-N-[(5-pyridin-2-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide?
N-methyl-N-[(5-pyridin-2-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide has a molecular weight of 347.44 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-pyridin-2-yl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]methanesulfonamide is sourced from PubChem (CID 46967015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).