N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1-phenylmethanesulfonamide

C22H25N5O3S — CID 122325986

IUPACN-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1-phenylmethanesulfonamide
SMILESCc1cc(Nc2ccc(NS(=O)(=O)Cc3ccccc3)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C22H25N5O3S/c1-17-15-21(25-22(23-17)27-11-13-30-14-12-27)24-19-7-9-20(10-8-19)26-31(28,29)16-18-5-3-2-4-6-18/h2-10,15,26H,11-14,16H2,1H3,(H,23,24,25)
InChIKeyIIXQMZYIJXRGBC-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.31
Rot. Bonds7

About N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1-phenylmethanesulfonamide

N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1-phenylmethanesulfonamide (PubChem CID 122325986) has the molecular formula C22H25N5O3S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1-phenylmethanesulfonamide
PubChem CID122325986
Molecular FormulaC22H25N5O3S
Molecular Weight439.54 g/mol
Exact Mass439.17
IUPAC NameN-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1-phenylmethanesulfonamide
SMILESCc1cc(Nc2ccc(NS(=O)(=O)Cc3ccccc3)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C22H25N5O3S/c1-17-15-21(25-22(23-17)27-11-13-30-14-12-27)24-19-7-9-20(10-8-19)26-31(28,29)16-18-5-3-2-4-6-18/h2-10,15,26H,11-14,16H2,1H3,(H,23,24,25)
InChIKeyIIXQMZYIJXRGBC-UHFFFAOYSA-N
XLogP3.31
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-fluorophenyl)-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]methanesulfonamide
CID 122326174
N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 53048150
N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 122296026
5-ethyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]thiophene-2-sulfonamide
CID 122326162
5-chloro-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]thiophene-2-sulfonamide
CID 122326160
3-acetyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122326167
1-(2,5-difluorophenyl)-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]methanesulfonamide
CID 122295785
2-(4-ethylsulfonylpiperazin-1-yl)-6-methyl-N-phenylpyrimidin-4-amine
CID 53093475
N-(2-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112912314
6-methyl-2-morpholin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112912347
2-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide
CID 53047890
ethyl 4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]benzoate
CID 659609

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1-phenylmethanesulfonamide (CID 122325986) is N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1-phenylmethanesulfonamide is Cc1cc(Nc2ccc(NS(=O)(=O)Cc3ccccc3)cc2)nc(N2CCOCC2)n1.
What is the InChIKey of N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1-phenylmethanesulfonamide?
The InChIKey is IIXQMZYIJXRGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3S/c1-17-15-21(25-22(23-17)27-11-13-30-14-12-27)24-19-7-9-20(10-8-19)26-31(28,29)16-18-5-3-2-4-6-18/h2-10,15,26H,11-14,16H2,1H3,(H,23,24,25).
What are the key properties of N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1-phenylmethanesulfonamide?
N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1-phenylmethanesulfonamide has a molecular weight of 439.54 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 122325986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).