3-methyl-N-[(E)-[4-[2-(methylamino)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneamino]aniline

C18H25N7O2 — CID 11187877

IUPAC3-methyl-N-[(E)-[4-[2-(methylamino)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneamino]aniline
SMILESCNCCOc1nc(/C=N/Nc2cccc(C)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H25N7O2/c1-14-4-3-5-15(12-14)24-20-13-16-21-17(25-7-10-26-11-8-25)23-18(22-16)27-9-6-19-2/h3-5,12-13,19,24H,6-11H2,1-2H3/b20-13+
InChIKeySRNOOEKZFHLGFX-DEDYPNTBSA-N
MW371.45 g/mol
LogP1.06
Rot. Bonds8

About 3-methyl-N-[(E)-[4-[2-(methylamino)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneamino]aniline

3-methyl-N-[(E)-[4-[2-(methylamino)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneamino]aniline (PubChem CID 11187877) has the molecular formula C18H25N7O2 and a molecular weight of 371.45 g/mol. Its IUPAC name is 3-methyl-N-[(E)-[4-[2-(methylamino)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneamino]aniline.

Molecular Properties

Compound Name3-methyl-N-[(E)-[4-[2-(methylamino)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneamino]aniline
PubChem CID11187877
Molecular FormulaC18H25N7O2
Molecular Weight371.45 g/mol
Exact Mass371.21
IUPAC Name3-methyl-N-[(E)-[4-[2-(methylamino)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneamino]aniline
SMILESCNCCOc1nc(/C=N/Nc2cccc(C)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H25N7O2/c1-14-4-3-5-15(12-14)24-20-13-16-21-17(25-7-10-26-11-8-25)23-18(22-16)27-9-6-19-2/h3-5,12-13,19,24H,6-11H2,1-2H3/b20-13+
InChIKeySRNOOEKZFHLGFX-DEDYPNTBSA-N
XLogP1.06
TPSA96.79 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

N-[[4-[2-(methylamino)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneamino]naphthalen-2-amine
CID 66648026
N-[(E)-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-yl]methylideneamino]naphthalen-2-amine
CID 11178549
4-methyl-2-N-[(E)-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-yl]methylideneamino]benzene-1,2-diamine
CID 11235876
3-methyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]aniline
CID 11166016
3-[2-[4-[[(3-methylphenyl)hydrazinylidene]methyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl]-1,3-oxazolidin-2-one
CID 66682707
6-[2-(methylamino)ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 11314679
6-[2-(methylamino)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 66683567
N-[[2-[2-(3-methylphenoxy)ethoxy]phenyl]methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine
CID 4273453
4-methyl-2-[[[6-[2-(methylamino)ethoxy]-2-morpholin-4-ylpyrimidin-4-yl]methylideneamino]methyl]aniline
CID 58060620
2-[2-(methylamino)ethoxy]-4-N-[(3-methylphenyl)methylideneamino]pyrimidine-4,6-diamine
CID 66682212
2-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl morpholine-4-carboxylate
CID 58613205
N-[(3-methylphenyl)methylideneamino]-2-(2-morpholin-4-ylethoxy)-6-(1,3-thiazolidin-3-yl)pyrimidin-4-amine
CID 66683532

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(E)-[4-[2-(methylamino)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneamino]aniline?
The IUPAC name of 3-methyl-N-[(E)-[4-[2-(methylamino)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneamino]aniline (CID 11187877) is 3-methyl-N-[(E)-[4-[2-(methylamino)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneamino]aniline.
What is the SMILES notation for 3-methyl-N-[(E)-[4-[2-(methylamino)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneamino]aniline?
The canonical SMILES for 3-methyl-N-[(E)-[4-[2-(methylamino)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneamino]aniline is CNCCOc1nc(/C=N/Nc2cccc(C)c2)nc(N2CCOCC2)n1.
What is the InChIKey of 3-methyl-N-[(E)-[4-[2-(methylamino)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneamino]aniline?
The InChIKey is SRNOOEKZFHLGFX-DEDYPNTBSA-N. The full InChI is InChI=1S/C18H25N7O2/c1-14-4-3-5-15(12-14)24-20-13-16-21-17(25-7-10-26-11-8-25)23-18(22-16)27-9-6-19-2/h3-5,12-13,19,24H,6-11H2,1-2H3/b20-13+.
What are the key properties of 3-methyl-N-[(E)-[4-[2-(methylamino)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneamino]aniline?
3-methyl-N-[(E)-[4-[2-(methylamino)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneamino]aniline has a molecular weight of 371.45 g/mol, XLogP of 1.06, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(E)-[4-[2-(methylamino)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneamino]aniline is sourced from PubChem (CID 11187877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).