4-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N,2-N-dipropyl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazine-2,4-diamine

C25H30N8O — CID 136642520

IUPAC4-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N,2-N-dipropyl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazine-2,4-diamine
SMILESCCCN(CCC)c1nc(N/N=C/c2c[nH]c3ccccc23)nc(OCCc2ccccn2)n1
InChIInChI=1S/C25H30N8O/c1-3-14-33(15-4-2)24-29-23(30-25(31-24)34-16-12-20-9-7-8-13-26-20)32-28-18-19-17-27-22-11-6-5-10-21(19)22/h5-11,13,17-18,27H,3-4,12,14-16H2,1-2H3,(H,29,30,31,32)/b28-18+
InChIKeyZLBWLMSIMWWYPK-MTDXEUNCSA-N
MW458.57 g/mol
LogP4.44
Rot. Bonds12

About 4-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N,2-N-dipropyl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazine-2,4-diamine

4-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N,2-N-dipropyl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazine-2,4-diamine (PubChem CID 136642520) has the molecular formula C25H30N8O and a molecular weight of 458.57 g/mol. Its IUPAC name is 4-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N,2-N-dipropyl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N,2-N-dipropyl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazine-2,4-diamine
PubChem CID136642520
Molecular FormulaC25H30N8O
Molecular Weight458.57 g/mol
Exact Mass458.25
IUPAC Name4-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N,2-N-dipropyl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazine-2,4-diamine
SMILESCCCN(CCC)c1nc(N/N=C/c2c[nH]c3ccccc23)nc(OCCc2ccccn2)n1
InChIInChI=1S/C25H30N8O/c1-3-14-33(15-4-2)24-29-23(30-25(31-24)34-16-12-20-9-7-8-13-26-20)32-28-18-19-17-27-22-11-6-5-10-21(19)22/h5-11,13,17-18,27H,3-4,12,14-16H2,1-2H3,(H,29,30,31,32)/b28-18+
InChIKeyZLBWLMSIMWWYPK-MTDXEUNCSA-N
XLogP4.44
TPSA104.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_thiophene_A(11)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N,2-N-dipropyl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-(4,5-dihydro-1,3-oxazol-2-ylmethoxy)-4-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 136642529
N-[(E)-1H-indol-3-ylmethylideneamino]-4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-amine dichloride
CID 135505691
6-[(E)-1H-indol-3-ylmethylideneamino]oxy-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 136642533
N-[(E)-[4-(dipropylamino)-6-[2-(methylamino)ethoxy]-1,3,5-triazin-2-yl]methylideneamino]-1H-indol-3-amine
CID 89358286
N-[(E)-[4-(dipropylamino)-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methylideneamino]-1H-indol-3-amine
CID 89332059
2-[2-hydroxyethyl-[4-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-6-(4-methylanilino)-1,3,5-triazin-2-yl]amino]ethanol
CID 153389201
6-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 89332198
6-[(E)-[(3,4-dimethylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 89358334
6-[(E)-[(2,5-dimethylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 143340667
6-N-[(E)-(3-iodophenyl)methylideneamino]-4-N,4-N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidine-4,6-diamine
CID 143533368
4-[(2E)-2-[[6-[butyl(propyl)amino]-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylidene]hydrazinyl]phenol
CID 143847127
2-N-(1H-indol-3-ylmethylideneamino)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 3092789

Frequently Asked Questions

What is the IUPAC name of 4-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N,2-N-dipropyl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N,2-N-dipropyl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazine-2,4-diamine (CID 136642520) is 4-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N,2-N-dipropyl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N,2-N-dipropyl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N,2-N-dipropyl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazine-2,4-diamine is CCCN(CCC)c1nc(N/N=C/c2c[nH]c3ccccc23)nc(OCCc2ccccn2)n1.
What is the InChIKey of 4-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N,2-N-dipropyl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazine-2,4-diamine?
The InChIKey is ZLBWLMSIMWWYPK-MTDXEUNCSA-N. The full InChI is InChI=1S/C25H30N8O/c1-3-14-33(15-4-2)24-29-23(30-25(31-24)34-16-12-20-9-7-8-13-26-20)32-28-18-19-17-27-22-11-6-5-10-21(19)22/h5-11,13,17-18,27H,3-4,12,14-16H2,1-2H3,(H,29,30,31,32)/b28-18+.
What are the key properties of 4-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N,2-N-dipropyl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazine-2,4-diamine?
4-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N,2-N-dipropyl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 458.57 g/mol, XLogP of 4.44, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N,2-N-dipropyl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 136642520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).