N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide

C15H21N5O2S — CID 56698937

IUPACN-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
SMILESCc1nc(NCCNS(=O)(=O)c2ccccc2)cc(N(C)C)n1
InChIInChI=1S/C15H21N5O2S/c1-12-18-14(11-15(19-12)20(2)3)16-9-10-17-23(21,22)13-7-5-4-6-8-13/h4-8,11,17H,9-10H2,1-3H3,(H,16,18,19)
InChIKeyYELADKCDDGLIGV-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.24
Rot. Bonds7

About N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide

N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide (PubChem CID 56698937) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
PubChem CID56698937
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC NameN-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
SMILESCc1nc(NCCNS(=O)(=O)c2ccccc2)cc(N(C)C)n1
InChIInChI=1S/C15H21N5O2S/c1-12-18-14(11-15(19-12)20(2)3)16-9-10-17-23(21,22)13-7-5-4-6-8-13/h4-8,11,17H,9-10H2,1-3H3,(H,16,18,19)
InChIKeyYELADKCDDGLIGV-UHFFFAOYSA-N
XLogP1.24
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.24
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

N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-4-methyl-3,5-dinitrobenzenesulfonamide
CID 121074861
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3-fluorobenzenesulfonamide
CID 121074810
6-N-(2-aminoethyl)-4-N,4-N,2-trimethylpyrimidine-4,6-diamine
CID 99980166
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 121074792
N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-4-phenoxybenzenesulfonamide
CID 121074870
4-iodo-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 122308806
N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]-4-phenoxybenzenesulfonamide
CID 122326376
4-ethyl-N-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 122315030
N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122290051
3-chloro-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 121075572
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 121074817
N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]-4-phenoxybenzenesulfonamide
CID 122315452

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide?
The IUPAC name of N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide (CID 56698937) is N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide is Cc1nc(NCCNS(=O)(=O)c2ccccc2)cc(N(C)C)n1.
What is the InChIKey of N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide?
The InChIKey is YELADKCDDGLIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-12-18-14(11-15(19-12)20(2)3)16-9-10-17-23(21,22)13-7-5-4-6-8-13/h4-8,11,17H,9-10H2,1-3H3,(H,16,18,19).
What are the key properties of N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide?
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 56698937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).