N-[[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]-6-(methylamino)pyrimidin-4-yl]methyl]-N-methylacetamide

C19H25N5O3S — CID 110092328

IUPACN-[[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]-6-(methylamino)pyrimidin-4-yl]methyl]-N-methylacetamide
SMILESCNc1cc(CN(C)C(C)=O)nc(C2CCCN2S(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C19H25N5O3S/c1-14(25)23(3)13-15-12-18(20-2)22-19(21-15)17-10-7-11-24(17)28(26,27)16-8-5-4-6-9-16/h4-6,8-9,12,17H,7,10-11,13H2,1-3H3,(H,20,21,22)
InChIKeyRLTKTYKKYXRQAF-UHFFFAOYSA-N
MW403.51 g/mol
LogP2.02
Rot. Bonds6

About N-[[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]-6-(methylamino)pyrimidin-4-yl]methyl]-N-methylacetamide

N-[[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]-6-(methylamino)pyrimidin-4-yl]methyl]-N-methylacetamide (PubChem CID 110092328) has the molecular formula C19H25N5O3S and a molecular weight of 403.51 g/mol. Its IUPAC name is N-[[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]-6-(methylamino)pyrimidin-4-yl]methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]-6-(methylamino)pyrimidin-4-yl]methyl]-N-methylacetamide
PubChem CID110092328
Molecular FormulaC19H25N5O3S
Molecular Weight403.51 g/mol
Exact Mass403.17
IUPAC NameN-[[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]-6-(methylamino)pyrimidin-4-yl]methyl]-N-methylacetamide
SMILESCNc1cc(CN(C)C(C)=O)nc(C2CCCN2S(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C19H25N5O3S/c1-14(25)23(3)13-15-12-18(20-2)22-19(21-15)17-10-7-11-24(17)28(26,27)16-8-5-4-6-9-16/h4-6,8-9,12,17H,7,10-11,13H2,1-3H3,(H,20,21,22)
InChIKeyRLTKTYKKYXRQAF-UHFFFAOYSA-N
XLogP2.02
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-[(2S)-1-(3,4-dimethylphenyl)sulfonylpiperidin-2-yl]-6-(methylamino)pyrimidin-4-yl]methyl]-N-methylacetamide
CID 92624187
N-[[6-(dimethylamino)-2-[(2R)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide
CID 92624254
N-[[6-(dimethylamino)-2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide
CID 92624253
N-methyl-N-[[6-(methylamino)-2-[1-(3-phenylpropanoyl)piperidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 110259551
N-methyl-N-[[6-(methylamino)-2-[(2S)-1-(2-phenoxyacetyl)piperidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 92624243
6-[1-(benzenesulfonyl)pyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine
CID 110113647
N-[[2-[(2R)-1-acetylpyrrolidin-2-yl]-6-(methylamino)pyrimidin-4-yl]methyl]-N-methyl-2-phenoxyacetamide
CID 92638531
N-methyl-N-[[6-(methylamino)-2-[1-[(1,2,6-trimethylindol-3-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 110092340
N-[[2-[1-(diethylsulfamoyl)piperidin-2-yl]-6-(dimethylamino)pyrimidin-4-yl]methyl]-N-methylacetamide
CID 110259592
N-[[2-[(2S)-1-acetylpyrrolidin-2-yl]-6-(methylamino)pyrimidin-4-yl]methyl]-2-(2-fluorophenoxy)-N-methylacetamide
CID 92638474
5-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-3-ethyl-1,2-oxazole
CID 92894119
N-[[2-[(2R)-1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-2-yl]-6-(methylamino)pyrimidin-4-yl]methyl]-N-methylacetamide
CID 92624250

Frequently Asked Questions

What is the IUPAC name of N-[[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]-6-(methylamino)pyrimidin-4-yl]methyl]-N-methylacetamide?
The IUPAC name of N-[[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]-6-(methylamino)pyrimidin-4-yl]methyl]-N-methylacetamide (CID 110092328) is N-[[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]-6-(methylamino)pyrimidin-4-yl]methyl]-N-methylacetamide.
What is the SMILES notation for N-[[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]-6-(methylamino)pyrimidin-4-yl]methyl]-N-methylacetamide?
The canonical SMILES for N-[[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]-6-(methylamino)pyrimidin-4-yl]methyl]-N-methylacetamide is CNc1cc(CN(C)C(C)=O)nc(C2CCCN2S(=O)(=O)c2ccccc2)n1.
What is the InChIKey of N-[[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]-6-(methylamino)pyrimidin-4-yl]methyl]-N-methylacetamide?
The InChIKey is RLTKTYKKYXRQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3S/c1-14(25)23(3)13-15-12-18(20-2)22-19(21-15)17-10-7-11-24(17)28(26,27)16-8-5-4-6-9-16/h4-6,8-9,12,17H,7,10-11,13H2,1-3H3,(H,20,21,22).
What are the key properties of N-[[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]-6-(methylamino)pyrimidin-4-yl]methyl]-N-methylacetamide?
N-[[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]-6-(methylamino)pyrimidin-4-yl]methyl]-N-methylacetamide has a molecular weight of 403.51 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]-6-(methylamino)pyrimidin-4-yl]methyl]-N-methylacetamide is sourced from PubChem (CID 110092328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).