2-N-(4-aminophenyl)-4-N,6-N-bis[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine

C19H33N9 — CID 58722838

IUPAC2-N-(4-aminophenyl)-4-N,6-N-bis[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)CCCNc1nc(NCCCN(C)C)nc(Nc2ccc(N)cc2)n1
InChIInChI=1S/C19H33N9/c1-27(2)13-5-11-21-17-24-18(22-12-6-14-28(3)4)26-19(25-17)23-16-9-7-15(20)8-10-16/h7-10H,5-6,11-14,20H2,1-4H3,(H3,21,22,23,24,25,26)
InChIKeyVTNDPEATEZIJDV-UHFFFAOYSA-N
MW387.54 g/mol
LogP1.92
Rot. Bonds12

About 2-N-(4-aminophenyl)-4-N,6-N-bis[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine

2-N-(4-aminophenyl)-4-N,6-N-bis[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 58722838) has the molecular formula C19H33N9 and a molecular weight of 387.54 g/mol. Its IUPAC name is 2-N-(4-aminophenyl)-4-N,6-N-bis[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(4-aminophenyl)-4-N,6-N-bis[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID58722838
Molecular FormulaC19H33N9
Molecular Weight387.54 g/mol
Exact Mass387.29
IUPAC Name2-N-(4-aminophenyl)-4-N,6-N-bis[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)CCCNc1nc(NCCCN(C)C)nc(Nc2ccc(N)cc2)n1
InChIInChI=1S/C19H33N9/c1-27(2)13-5-11-21-17-24-18(22-12-6-14-28(3)4)26-19(25-17)23-16-9-7-15(20)8-10-16/h7-10H,5-6,11-14,20H2,1-4H3,(H3,21,22,23,24,25,26)
InChIKeyVTNDPEATEZIJDV-UHFFFAOYSA-N
XLogP1.92
TPSA107.26 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.54
LogP ≤ 51.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-N-(3,4-dichlorophenyl)-4-N-[3-(dimethylamino)propyl]-6-(trichloromethyl)-1,3,5-triazine-2,4-diamine
CID 134261293
2-[[4-(3-aminoanilino)-6-[2-[4-[[4-(3-aminoanilino)-6-[2-(dimethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]phenyl]ethylamino]-1,3,5-triazin-2-yl]amino]ethanol
CID 45486434
4-N,6-N-bis(4-aminophenyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4,6-triamine
CID 153324586
6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis(2-phenylethyl)-1,3,5-triazine-2,4,6-triamine
CID 56647766
6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 56646931
2-N,4-N-bis[(4-chlorophenyl)methyl]-6-N-[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine
CID 56646930
4-N-[3-(dimethylamino)propyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 23653485
4-N-butyl-2-N-(4-tert-butylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 101120334
6-N-[5-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]pentyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 20775300
4-N-[3-(dimethylamino)propyl]-2-N-(4-ethylphenyl)pyrimidine-2,4-diamine
CID 112887656
2-N-(4-anilinophenyl)-4-N-hexadecyl-1,3,5-triazine-2,4,6-triamine
CID 110189277
4-N-[3-(dimethylamino)propyl]-2-N-(4-fluorophenyl)-6-phenylpyrimidine-2,4-diamine
CID 112936129

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-aminophenyl)-4-N,6-N-bis[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(4-aminophenyl)-4-N,6-N-bis[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine (CID 58722838) is 2-N-(4-aminophenyl)-4-N,6-N-bis[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(4-aminophenyl)-4-N,6-N-bis[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(4-aminophenyl)-4-N,6-N-bis[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine is CN(C)CCCNc1nc(NCCCN(C)C)nc(Nc2ccc(N)cc2)n1.
What is the InChIKey of 2-N-(4-aminophenyl)-4-N,6-N-bis[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is VTNDPEATEZIJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N9/c1-27(2)13-5-11-21-17-24-18(22-12-6-14-28(3)4)26-19(25-17)23-16-9-7-15(20)8-10-16/h7-10H,5-6,11-14,20H2,1-4H3,(H3,21,22,23,24,25,26).
What are the key properties of 2-N-(4-aminophenyl)-4-N,6-N-bis[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine?
2-N-(4-aminophenyl)-4-N,6-N-bis[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 387.54 g/mol, XLogP of 1.92, 12 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-aminophenyl)-4-N,6-N-bis[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 58722838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).