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

C22H26N8O2 — CID 11235876

IUPAC4-methyl-2-N-[(E)-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-yl]methylideneamino]benzene-1,2-diamine
SMILESCc1ccc(N)c(N/N=C/c2nc(OCCc3ccccn3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C22H26N8O2/c1-16-5-6-18(23)19(14-16)29-25-15-20-26-21(30-9-12-31-13-10-30)28-22(27-20)32-11-7-17-4-2-3-8-24-17/h2-6,8,14-15,29H,7,9-13,23H2,1H3/b25-15+
InChIKeyJWNUTBQBFWMOAN-MFKUBSTISA-N
MW434.50 g/mol
LogP2.06
Rot. Bonds8

About 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

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 (PubChem CID 11235876) has the molecular formula C22H26N8O2 and a molecular weight of 434.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-methyl-2-N-[(E)-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-yl]methylideneamino]benzene-1,2-diamine
PubChem CID11235876
Molecular FormulaC22H26N8O2
Molecular Weight434.50 g/mol
Exact Mass434.22
IUPAC Name4-methyl-2-N-[(E)-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-yl]methylideneamino]benzene-1,2-diamine
SMILESCc1ccc(N)c(N/N=C/c2nc(OCCc3ccccn3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C22H26N8O2/c1-16-5-6-18(23)19(14-16)29-25-15-20-26-21(30-9-12-31-13-10-30)28-22(27-20)32-11-7-17-4-2-3-8-24-17/h2-6,8,14-15,29H,7,9-13,23H2,1H3/b25-15+
InChIKeyJWNUTBQBFWMOAN-MFKUBSTISA-N
XLogP2.06
TPSA123.67 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

4-methyl-2-N-[[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]benzene-1,2-diamine
CID 66648013
N-[(E)-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-yl]methylideneamino]naphthalen-2-amine
CID 11178549
3-methyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]aniline
CID 11166016
3-methyl-N-[(E)-[4-[2-(methylamino)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneamino]aniline
CID 11187877
ethane;N-[(E)-(3-methylphenyl)methylideneamino]-4-piperidin-1-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-amine
CID 143341573
2-N-[(E)-[4-(dipropylamino)-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methylideneamino]-4-methylbenzene-1,2-diamine;ethane
CID 143341180
5-[(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 140649039
N-[(E)-1H-indol-3-ylmethylideneamino]-4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-amine dichloride
CID 135505691
4-methyl-2-[2-[[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide
CID 118162383
N-[[4-[2-(methylamino)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneamino]naphthalen-2-amine
CID 66648026
3-[2-[2-[(3-methylphenyl)methyliminomethyl]-6-morpholin-4-ylpyrimidin-4-yl]oxyethyl]-1,3-oxazolidin-2-one;3-[2-[[4-[(3-methylphenyl)methyliminomethyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]-1,3-oxazolidin-2-one;N-[(3-methylphenyl)methyl]-1-[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]methanimine;N-[(3-methylphenyl)methyl]-1-[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-1,3,5-triazin-2-yl]methanimine;N-[(3-methylphenyl)methyl]-1-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methanimine;N-[(3-methylphenyl)methyl]-1-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-yl]methanimine
CID 157221648
6-(azetidin-1-yl)-N-[(3-methylphenyl)methylideneamino]-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 66681684

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(N)c(N/N=C/c2nc(OCCc3ccccn3)nc(N3CCOCC3)n2)c1.
What is the InChIKey of 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?
The InChIKey is JWNUTBQBFWMOAN-MFKUBSTISA-N. The full InChI is InChI=1S/C22H26N8O2/c1-16-5-6-18(23)19(14-16)29-25-15-20-26-21(30-9-12-31-13-10-30)28-22(27-20)32-11-7-17-4-2-3-8-24-17/h2-6,8,14-15,29H,7,9-13,23H2,1H3/b25-15+.
What are the key properties of 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?
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 has a molecular weight of 434.50 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 11235876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).