6-(dimethylamino)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]naphthalene-2-sulfonamide

C26H30N6O2S — CID 138646923

IUPAC6-(dimethylamino)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]naphthalene-2-sulfonamide
SMILESCc1ccc(Nc2cc(C)nc(NCCNS(=O)(=O)c3ccc4cc(N(C)C)ccc4c3)n2)cc1
InChIInChI=1S/C26H30N6O2S/c1-18-5-9-22(10-6-18)30-25-15-19(2)29-26(31-25)27-13-14-28-35(33,34)24-12-8-20-16-23(32(3)4)11-7-21(20)17-24/h5-12,15-17,28H,13-14H2,1-4H3,(H2,27,29,30,31)
InChIKeyDRGYGBDXZMWPOK-UHFFFAOYSA-N
MW490.63 g/mol
LogP4.45
Rot. Bonds9

About 6-(dimethylamino)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]naphthalene-2-sulfonamide

6-(dimethylamino)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]naphthalene-2-sulfonamide (PubChem CID 138646923) has the molecular formula C26H30N6O2S and a molecular weight of 490.63 g/mol. Its IUPAC name is 6-(dimethylamino)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound Name6-(dimethylamino)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]naphthalene-2-sulfonamide
PubChem CID138646923
Molecular FormulaC26H30N6O2S
Molecular Weight490.63 g/mol
Exact Mass490.22
IUPAC Name6-(dimethylamino)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]naphthalene-2-sulfonamide
SMILESCc1ccc(Nc2cc(C)nc(NCCNS(=O)(=O)c3ccc4cc(N(C)C)ccc4c3)n2)cc1
InChIInChI=1S/C26H30N6O2S/c1-18-5-9-22(10-6-18)30-25-15-19(2)29-26(31-25)27-13-14-28-35(33,34)24-12-8-20-16-23(32(3)4)11-7-21(20)17-24/h5-12,15-17,28H,13-14H2,1-4H3,(H2,27,29,30,31)
InChIKeyDRGYGBDXZMWPOK-UHFFFAOYSA-N
XLogP4.45
TPSA99.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-(dimethylamino)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]naphthalene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 138647386
N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]-3-nitrobenzenesulfonamide
CID 122325254
4-bromo-N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 121075443
2-chloro-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 122324963
5-methyl-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]thiophene-2-sulfonamide
CID 122325163
3-chloro-4-fluoro-N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 122294762
3,5-difluoro-N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]benzenesulfonamide
CID 122294776
4-N-[4-(dimethylamino)phenyl]-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80788974
6-methyl-4-N-(4-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80762323
3-chloro-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-methylbenzenesulfonamide
CID 122295588
N-[2-[[4-(4-fluoroanilino)-6-(1,2,4-triazol-4-yl)pyrimidin-2-yl]amino]ethyl]-4-methylbenzenesulfonamide
CID 145171436
2-N,4-N-bis[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine
CID 112931685

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]naphthalene-2-sulfonamide?
The IUPAC name of 6-(dimethylamino)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]naphthalene-2-sulfonamide (CID 138646923) is 6-(dimethylamino)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]naphthalene-2-sulfonamide.
What is the SMILES notation for 6-(dimethylamino)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]naphthalene-2-sulfonamide?
The canonical SMILES for 6-(dimethylamino)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]naphthalene-2-sulfonamide is Cc1ccc(Nc2cc(C)nc(NCCNS(=O)(=O)c3ccc4cc(N(C)C)ccc4c3)n2)cc1.
What is the InChIKey of 6-(dimethylamino)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]naphthalene-2-sulfonamide?
The InChIKey is DRGYGBDXZMWPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2S/c1-18-5-9-22(10-6-18)30-25-15-19(2)29-26(31-25)27-13-14-28-35(33,34)24-12-8-20-16-23(32(3)4)11-7-21(20)17-24/h5-12,15-17,28H,13-14H2,1-4H3,(H2,27,29,30,31).
What are the key properties of 6-(dimethylamino)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]naphthalene-2-sulfonamide?
6-(dimethylamino)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]naphthalene-2-sulfonamide has a molecular weight of 490.63 g/mol, XLogP of 4.45, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 138646923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).