2-N-[(Z)-1H-indol-3-ylmethylideneamino]-4-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

C23H24N8O — CID 136843437

IUPAC2-N-[(Z)-1H-indol-3-ylmethylideneamino]-4-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(Nc2nc(N/N=C\c3c[nH]c4ccccc34)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C23H24N8O/c1-16-6-8-18(9-7-16)26-21-27-22(29-23(28-21)31-10-12-32-13-11-31)30-25-15-17-14-24-20-5-3-2-4-19(17)20/h2-9,14-15,24H,10-13H2,1H3,(H2,26,27,28,29,30)/b25-15-
InChIKeyXFKXAGNCDBSLLL-MYYYXRDXSA-N
MW428.50 g/mol
LogP3.69
Rot. Bonds6

About 2-N-[(Z)-1H-indol-3-ylmethylideneamino]-4-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

2-N-[(Z)-1H-indol-3-ylmethylideneamino]-4-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (PubChem CID 136843437) has the molecular formula C23H24N8O and a molecular weight of 428.50 g/mol. Its IUPAC name is 2-N-[(Z)-1H-indol-3-ylmethylideneamino]-4-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(Z)-1H-indol-3-ylmethylideneamino]-4-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
PubChem CID136843437
Molecular FormulaC23H24N8O
Molecular Weight428.50 g/mol
Exact Mass428.21
IUPAC Name2-N-[(Z)-1H-indol-3-ylmethylideneamino]-4-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(Nc2nc(N/N=C\c3c[nH]c4ccccc34)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C23H24N8O/c1-16-6-8-18(9-7-16)26-21-27-22(29-23(28-21)31-10-12-32-13-11-31)30-25-15-17-14-24-20-5-3-2-4-19(17)20/h2-9,14-15,24H,10-13H2,1H3,(H2,26,27,28,29,30)/b25-15-
InChIKeyXFKXAGNCDBSLLL-MYYYXRDXSA-N
XLogP3.69
TPSA103.35 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.69
H-Bond Donors ≤ 53
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'}

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Related Compounds

2-N-[(E)-1H-indol-3-ylmethylideneamino]-4-N-(5-methyl-2-pyridinyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 153389200
N-[(Z)-1H-indol-3-ylmethylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 136690255
4-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-(4-methylphenyl)-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 153389202
4-N-(2-chlorophenyl)-2-N-[(E)-1H-indol-3-ylmethylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 153389188
2-N-(1H-indol-3-ylmethylideneamino)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 3092789
2-N-[(Z)-1H-indol-3-ylmethylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 136717071
2-N-(1H-indol-3-ylmethylideneamino)-4-N-(4-nitrophenyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 136832231
4-chloro-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine;4-N-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)benzene-1,4-diamine;1-N-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine;4,6-dichloro-N-(4-methylphenyl)-1,3,5-triazin-2-amine;4-N-[4-(dimethylamino)phenyl]-2-N-[(E)-1H-indol-3-ylmethylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;1-N-(4-hydrazinyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-4-N,4-N-dimethylbenzene-1,4-diamine;3H-indene-1-carbaldehyde;4-methylaniline;2,4,6-trichloro-1,3,5-triazine
CID 172952213
4-N-(4-methylphenyl)-6-morpholin-4-yl-2-N-(pyridin-4-ylmethylideneamino)-1,3,5-triazine-2,4-diamine
CID 153389162
2-N-(1H-indol-3-ylmethylideneamino)-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 171147964
4-N-(4-methoxyphenyl)-2-N-[(Z)-(2-methylphenyl)methylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 6026351
N-[(E)-1H-indol-3-ylmethylideneamino]-4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-amine dichloride
CID 135505691

Frequently Asked Questions

What is the IUPAC name of 2-N-[(Z)-1H-indol-3-ylmethylideneamino]-4-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(Z)-1H-indol-3-ylmethylideneamino]-4-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (CID 136843437) is 2-N-[(Z)-1H-indol-3-ylmethylideneamino]-4-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(Z)-1H-indol-3-ylmethylideneamino]-4-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(Z)-1H-indol-3-ylmethylideneamino]-4-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is Cc1ccc(Nc2nc(N/N=C\c3c[nH]c4ccccc34)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 2-N-[(Z)-1H-indol-3-ylmethylideneamino]-4-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is XFKXAGNCDBSLLL-MYYYXRDXSA-N. The full InChI is InChI=1S/C23H24N8O/c1-16-6-8-18(9-7-16)26-21-27-22(29-23(28-21)31-10-12-32-13-11-31)30-25-15-17-14-24-20-5-3-2-4-19(17)20/h2-9,14-15,24H,10-13H2,1H3,(H2,26,27,28,29,30)/b25-15-.
What are the key properties of 2-N-[(Z)-1H-indol-3-ylmethylideneamino]-4-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
2-N-[(Z)-1H-indol-3-ylmethylideneamino]-4-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 428.50 g/mol, XLogP of 3.69, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(Z)-1H-indol-3-ylmethylideneamino]-4-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 136843437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).