3-methyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]aniline

C23H26N6O2 — CID 11166016

IUPAC3-methyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]aniline
SMILESCc1cccc(N/N=C/c2cc(N3CCOCC3)nc(OCCc3ccccn3)n2)c1
InChIInChI=1S/C23H26N6O2/c1-18-5-4-7-20(15-18)28-25-17-21-16-22(29-10-13-30-14-11-29)27-23(26-21)31-12-8-19-6-2-3-9-24-19/h2-7,9,15-17,28H,8,10-14H2,1H3/b25-17+
InChIKeyRBDANGBZUKDDFG-KOEQRZSOSA-N
MW418.50 g/mol
LogP3.08
Rot. Bonds8

About 3-methyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]aniline

3-methyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]aniline (PubChem CID 11166016) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 3-methyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]aniline.

Molecular Properties

Compound Name3-methyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]aniline
PubChem CID11166016
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name3-methyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]aniline
SMILESCc1cccc(N/N=C/c2cc(N3CCOCC3)nc(OCCc3ccccn3)n2)c1
InChIInChI=1S/C23H26N6O2/c1-18-5-4-7-20(15-18)28-25-17-21-16-22(29-10-13-30-14-11-29)27-23(26-21)31-12-8-19-6-2-3-9-24-19/h2-7,9,15-17,28H,8,10-14H2,1H3/b25-17+
InChIKeyRBDANGBZUKDDFG-KOEQRZSOSA-N
XLogP3.08
TPSA84.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

4-methyl-2-N-[[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]benzene-1,2-diamine
CID 66648013
2,3-dimethyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]-1H-indol-5-amine
CID 11454233
3-[2-[4-[[(3-methylphenyl)hydrazinylidene]methyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl]-1,3-oxazolidin-2-one
CID 66682707
6-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]-N,N-dipropyl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 89332198
1-(3-methylphenyl)-2-[1-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]ethenyl]hydrazine
CID 89163648
6-(azetidin-1-yl)-N-[(3-methylphenyl)methylideneamino]-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 66681684
N-[(3-fluorophenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 66681810
3-[(2E)-2-[[6-[2-(methylamino)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methylidene]hydrazinyl]benzamide;3-[(2E)-2-[[2-[2-(methylamino)ethoxy]-6-morpholin-4-ylpyrimidin-4-yl]methylidene]hydrazinyl]benzamide;3-[(2E)-2-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide;3-[(2E)-2-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methylidene]hydrazinyl]benzamide;3-[(2E)-2-[[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide;3-[(2E)-2-[[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylidene]hydrazinyl]benzamide
CID 172984251
N-[(E)-[4-morpholin-4-yl-6-(2-pyridin-2-ylethoxy)-1,3,5-triazin-2-yl]methylideneamino]naphthalen-2-amine
CID 11178549
N-[(E)-(2-iodo-4-pyridinyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 172933395
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
5-[(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 140649039

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]aniline?
The IUPAC name of 3-methyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]aniline (CID 11166016) is 3-methyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]aniline.
What is the SMILES notation for 3-methyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]aniline?
The canonical SMILES for 3-methyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]aniline is Cc1cccc(N/N=C/c2cc(N3CCOCC3)nc(OCCc3ccccn3)n2)c1.
What is the InChIKey of 3-methyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]aniline?
The InChIKey is RBDANGBZUKDDFG-KOEQRZSOSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-18-5-4-7-20(15-18)28-25-17-21-16-22(29-10-13-30-14-11-29)27-23(26-21)31-12-8-19-6-2-3-9-24-19/h2-7,9,15-17,28H,8,10-14H2,1H3/b25-17+.
What are the key properties of 3-methyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]aniline?
3-methyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]aniline has a molecular weight of 418.50 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]aniline is sourced from PubChem (CID 11166016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).