2,4,5-trimethyl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide

C24H29N5O3S — CID 27475758

IUPAC2,4,5-trimethyl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
SMILESCc1cc(N2CCOCC2)nc(Nc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2)n1
InChIInChI=1S/C24H29N5O3S/c1-16-13-18(3)22(14-17(16)2)33(30,31)28-21-7-5-20(6-8-21)26-24-25-19(4)15-23(27-24)29-9-11-32-12-10-29/h5-8,13-15,28H,9-12H2,1-4H3,(H,25,26,27)
InChIKeyANUZBIGCQUYELB-UHFFFAOYSA-N
MW467.60 g/mol
LogP4.09
Rot. Bonds6

About 2,4,5-trimethyl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide

2,4,5-trimethyl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide (PubChem CID 27475758) has the molecular formula C24H29N5O3S and a molecular weight of 467.60 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
PubChem CID27475758
Molecular FormulaC24H29N5O3S
Molecular Weight467.60 g/mol
Exact Mass467.20
IUPAC Name2,4,5-trimethyl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
SMILESCc1cc(N2CCOCC2)nc(Nc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2)n1
InChIInChI=1S/C24H29N5O3S/c1-16-13-18(3)22(14-17(16)2)33(30,31)28-21-7-5-20(6-8-21)26-24-25-19(4)15-23(27-24)29-9-11-32-12-10-29/h5-8,13-15,28H,9-12H2,1-4H3,(H,25,26,27)
InChIKeyANUZBIGCQUYELB-UHFFFAOYSA-N
XLogP4.09
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.60
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2,5-dimethyl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
CID 27487631
N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]naphthalene-1-sulfonamide
CID 122288208
N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 122288193
3,4-dimethyl-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
CID 27510286
N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]-1,2-dihydroacenaphthylene-3-sulfonamide
CID 44826898
3-acetyl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
CID 122288188
N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 122288226
(E)-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]-2-phenylethenesulfonamide
CID 122288185
5-chloro-2-methoxy-4-methyl-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
CID 27475839
5-chloro-2-methoxy-4-methyl-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
CID 46362643
2,4-difluoro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
CID 121032487
2,4-dichloro-5-methyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122297485

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide?
The IUPAC name of 2,4,5-trimethyl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide (CID 27475758) is 2,4,5-trimethyl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide.
What is the SMILES notation for 2,4,5-trimethyl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide?
The canonical SMILES for 2,4,5-trimethyl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide is Cc1cc(N2CCOCC2)nc(Nc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2)n1.
What is the InChIKey of 2,4,5-trimethyl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide?
The InChIKey is ANUZBIGCQUYELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3S/c1-16-13-18(3)22(14-17(16)2)33(30,31)28-21-7-5-20(6-8-21)26-24-25-19(4)15-23(27-24)29-9-11-32-12-10-29/h5-8,13-15,28H,9-12H2,1-4H3,(H,25,26,27).
What are the key properties of 2,4,5-trimethyl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide?
2,4,5-trimethyl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide has a molecular weight of 467.60 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 27475758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).