N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-phenoxyethanesulfonamide

C19H27N5O4S — CID 122294281

IUPACN-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-phenoxyethanesulfonamide
SMILESCc1nc(NCCNS(=O)(=O)CCOc2ccccc2)cc(N2CCOCC2)n1
InChIInChI=1S/C19H27N5O4S/c1-16-22-18(15-19(23-16)24-9-11-27-12-10-24)20-7-8-21-29(25,26)14-13-28-17-5-3-2-4-6-17/h2-6,15,21H,7-14H2,1H3,(H,20,22,23)
InChIKeyHVRFVASIYGBLPO-UHFFFAOYSA-N
MW421.52 g/mol
LogP1.03
Rot. Bonds10

About N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-phenoxyethanesulfonamide

N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-phenoxyethanesulfonamide (PubChem CID 122294281) has the molecular formula C19H27N5O4S and a molecular weight of 421.52 g/mol. Its IUPAC name is N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-phenoxyethanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-phenoxyethanesulfonamide
PubChem CID122294281
Molecular FormulaC19H27N5O4S
Molecular Weight421.52 g/mol
Exact Mass421.18
IUPAC NameN-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-phenoxyethanesulfonamide
SMILESCc1nc(NCCNS(=O)(=O)CCOc2ccccc2)cc(N2CCOCC2)n1
InChIInChI=1S/C19H27N5O4S/c1-16-22-18(15-19(23-16)24-9-11-27-12-10-24)20-7-8-21-29(25,26)14-13-28-17-5-3-2-4-6-17/h2-6,15,21H,7-14H2,1H3,(H,20,22,23)
InChIKeyHVRFVASIYGBLPO-UHFFFAOYSA-N
XLogP1.03
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-1-phenylmethanesulfonamide
CID 50947326
2-fluoro-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 50945553
N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 112869875
2,4-dimethyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 70702502
N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-4-phenoxybenzenesulfonamide
CID 121074870
2,5-dichloro-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 121074892
1,3,5-trimethyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]pyrazole-4-sulfonamide
CID 122294278
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-4-nitrobenzenesulfonamide
CID 121074909
N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-4-phenoxybenzenesulfonamide
CID 122326376
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]pyridine-2-carboxamide
CID 122294062
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-phenylmethoxyacetamide
CID 122294181
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 70702870

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-phenoxyethanesulfonamide?
The IUPAC name of N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-phenoxyethanesulfonamide (CID 122294281) is N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-phenoxyethanesulfonamide.
What is the SMILES notation for N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-phenoxyethanesulfonamide?
The canonical SMILES for N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-phenoxyethanesulfonamide is Cc1nc(NCCNS(=O)(=O)CCOc2ccccc2)cc(N2CCOCC2)n1.
What is the InChIKey of N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-phenoxyethanesulfonamide?
The InChIKey is HVRFVASIYGBLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O4S/c1-16-22-18(15-19(23-16)24-9-11-27-12-10-24)20-7-8-21-29(25,26)14-13-28-17-5-3-2-4-6-17/h2-6,15,21H,7-14H2,1H3,(H,20,22,23).
What are the key properties of N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-phenoxyethanesulfonamide?
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-phenoxyethanesulfonamide has a molecular weight of 421.52 g/mol, XLogP of 1.03, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-phenoxyethanesulfonamide is sourced from PubChem (CID 122294281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).