4-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-(4-methylphenyl)-6-morpholin-4-ylpyrimidine-2,4-diamine

C24H25N7O — CID 153389202

IUPAC4-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-(4-methylphenyl)-6-morpholin-4-ylpyrimidine-2,4-diamine
SMILESCc1ccc(Nc2nc(N/N=C/c3c[nH]c4ccccc34)cc(N3CCOCC3)n2)cc1
InChIInChI=1S/C24H25N7O/c1-17-6-8-19(9-7-17)27-24-28-22(14-23(29-24)31-10-12-32-13-11-31)30-26-16-18-15-25-21-5-3-2-4-20(18)21/h2-9,14-16,25H,10-13H2,1H3,(H2,27,28,29,30)/b26-16+
InChIKeyXHGNASSWAMKZSS-WGOQTCKBSA-N
MW427.51 g/mol
LogP4.29
Rot. Bonds6

About 4-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-(4-methylphenyl)-6-morpholin-4-ylpyrimidine-2,4-diamine

4-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-(4-methylphenyl)-6-morpholin-4-ylpyrimidine-2,4-diamine (PubChem CID 153389202) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is 4-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-(4-methylphenyl)-6-morpholin-4-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-(4-methylphenyl)-6-morpholin-4-ylpyrimidine-2,4-diamine
PubChem CID153389202
Molecular FormulaC24H25N7O
Molecular Weight427.51 g/mol
Exact Mass427.21
IUPAC Name4-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-(4-methylphenyl)-6-morpholin-4-ylpyrimidine-2,4-diamine
SMILESCc1ccc(Nc2nc(N/N=C/c3c[nH]c4ccccc34)cc(N3CCOCC3)n2)cc1
InChIInChI=1S/C24H25N7O/c1-17-6-8-19(9-7-17)27-24-28-22(14-23(29-24)31-10-12-32-13-11-31)30-26-16-18-15-25-21-5-3-2-4-20(18)21/h2-9,14-16,25H,10-13H2,1H3,(H2,27,28,29,30)/b26-16+
InChIKeyXHGNASSWAMKZSS-WGOQTCKBSA-N
XLogP4.29
TPSA90.46 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-N-[(Z)-1H-indol-3-ylmethylideneamino]-4-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 136843437
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
2-[2-(3,4-dimethoxyphenyl)ethoxy]-N-[(E)-1H-indol-3-ylmethylideneamino]-6-morpholin-4-ylpyrimidin-4-amine
CID 135443357
2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-N-[(E)-1H-indol-3-ylmethylideneamino]-6-morpholin-4-ylpyrimidin-4-amine
CID 135546643
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
4-N-(2-chlorophenyl)-2-N-[(E)-1H-indol-3-ylmethylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 153389188
N-[(Z)-(4-methylphenyl)methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine
CID 6252798
2-N-(1H-indol-3-ylmethylideneamino)-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 171147964
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-N-[(E)-1H-indol-3-ylmethylideneamino]-4-N-(2-methoxyethyl)-4-N-methyl-2-(2-morpholin-4-ylethoxy)pyrimidine-4,6-diamine
CID 135530125

Frequently Asked Questions

What is the IUPAC name of 4-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-(4-methylphenyl)-6-morpholin-4-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-(4-methylphenyl)-6-morpholin-4-ylpyrimidine-2,4-diamine (CID 153389202) is 4-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-(4-methylphenyl)-6-morpholin-4-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-(4-methylphenyl)-6-morpholin-4-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-(4-methylphenyl)-6-morpholin-4-ylpyrimidine-2,4-diamine is Cc1ccc(Nc2nc(N/N=C/c3c[nH]c4ccccc34)cc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-(4-methylphenyl)-6-morpholin-4-ylpyrimidine-2,4-diamine?
The InChIKey is XHGNASSWAMKZSS-WGOQTCKBSA-N. The full InChI is InChI=1S/C24H25N7O/c1-17-6-8-19(9-7-17)27-24-28-22(14-23(29-24)31-10-12-32-13-11-31)30-26-16-18-15-25-21-5-3-2-4-20(18)21/h2-9,14-16,25H,10-13H2,1H3,(H2,27,28,29,30)/b26-16+.
What are the key properties of 4-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-(4-methylphenyl)-6-morpholin-4-ylpyrimidine-2,4-diamine?
4-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-(4-methylphenyl)-6-morpholin-4-ylpyrimidine-2,4-diamine has a molecular weight of 427.51 g/mol, XLogP of 4.29, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-(4-methylphenyl)-6-morpholin-4-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 153389202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).