N-[2-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide

C19H21N5O2S — CID 133316513

IUPACN-[2-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
SMILESCc1nc(-c2cccnc2)nc(NCCNS(=O)(=O)c2ccccc2)c1C
InChIInChI=1S/C19H21N5O2S/c1-14-15(2)23-19(16-7-6-10-20-13-16)24-18(14)21-11-12-22-27(25,26)17-8-4-3-5-9-17/h3-10,13,22H,11-12H2,1-2H3,(H,21,23,24)
InChIKeySKJBNLGUPBOQAZ-UHFFFAOYSA-N
MW383.48 g/mol
LogP2.55
Rot. Bonds7

About N-[2-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide

N-[2-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide (PubChem CID 133316513) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is N-[2-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
PubChem CID133316513
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC NameN-[2-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
SMILESCc1nc(-c2cccnc2)nc(NCCNS(=O)(=O)c2ccccc2)c1C
InChIInChI=1S/C19H21N5O2S/c1-14-15(2)23-19(16-7-6-10-20-13-16)24-18(14)21-11-12-22-27(25,26)17-8-4-3-5-9-17/h3-10,13,22H,11-12H2,1-2H3,(H,21,23,24)
InChIKeySKJBNLGUPBOQAZ-UHFFFAOYSA-N
XLogP2.55
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[2-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 133334322
N-(cyclopropylmethyl)-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133334209
N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 7207713
4,5,6-trimethyl-2-pyridin-3-ylpyrimidine
CID 157011344
2-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol
CID 86794201
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133349441
N-[2-[(2,6-dimethylquinolin-4-yl)amino]ethyl]pyridine-3-sulfonamide
CID 46966805
N-[2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]pyridine-3-sulfonamide
CID 133423697
N-[(3-ethoxyphenyl)methyl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133317332
N-propylpyridine-3-sulfonamide
CID 43258995
4-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 122060070
N-[3-(methoxymethyl)phenyl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133351038

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of N-[2-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide (CID 133316513) is N-[2-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide is Cc1nc(-c2cccnc2)nc(NCCNS(=O)(=O)c2ccccc2)c1C.
What is the InChIKey of N-[2-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is SKJBNLGUPBOQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-14-15(2)23-19(16-7-6-10-20-13-16)24-18(14)21-11-12-22-27(25,26)17-8-4-3-5-9-17/h3-10,13,22H,11-12H2,1-2H3,(H,21,23,24).
What are the key properties of N-[2-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide?
N-[2-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 383.48 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 133316513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).