4-methyl-2-[[[6-[2-(methylamino)ethoxy]-2-morpholin-4-ylpyrimidin-4-yl]methylideneamino]methyl]aniline

C20H28N6O2 — CID 58060620

IUPAC4-methyl-2-[[[6-[2-(methylamino)ethoxy]-2-morpholin-4-ylpyrimidin-4-yl]methylideneamino]methyl]aniline
SMILESCNCCOc1cc(/C=N/Cc2cc(C)ccc2N)nc(N2CCOCC2)n1
InChIInChI=1S/C20H28N6O2/c1-15-3-4-18(21)16(11-15)13-23-14-17-12-19(28-8-5-22-2)25-20(24-17)26-6-9-27-10-7-26/h3-4,11-12,14,22H,5-10,13,21H2,1-2H3/b23-14+
InChIKeyTWUJYJLDEPPIBM-OEAKJJBVSA-N
MW384.48 g/mol
LogP1.42
Rot. Bonds8

About 4-methyl-2-[[[6-[2-(methylamino)ethoxy]-2-morpholin-4-ylpyrimidin-4-yl]methylideneamino]methyl]aniline

4-methyl-2-[[[6-[2-(methylamino)ethoxy]-2-morpholin-4-ylpyrimidin-4-yl]methylideneamino]methyl]aniline (PubChem CID 58060620) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-methyl-2-[[[6-[2-(methylamino)ethoxy]-2-morpholin-4-ylpyrimidin-4-yl]methylideneamino]methyl]aniline.

Molecular Properties

Compound Name4-methyl-2-[[[6-[2-(methylamino)ethoxy]-2-morpholin-4-ylpyrimidin-4-yl]methylideneamino]methyl]aniline
PubChem CID58060620
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Name4-methyl-2-[[[6-[2-(methylamino)ethoxy]-2-morpholin-4-ylpyrimidin-4-yl]methylideneamino]methyl]aniline
SMILESCNCCOc1cc(/C=N/Cc2cc(C)ccc2N)nc(N2CCOCC2)n1
InChIInChI=1S/C20H28N6O2/c1-15-3-4-18(21)16(11-15)13-23-14-17-12-19(28-8-5-22-2)25-20(24-17)26-6-9-27-10-7-26/h3-4,11-12,14,22H,5-10,13,21H2,1-2H3/b23-14+
InChIKeyTWUJYJLDEPPIBM-OEAKJJBVSA-N
XLogP1.42
TPSA97.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[6-[(2-amino-5-methylphenyl)methyliminomethyl]-2-morpholin-4-ylpyrimidin-4-yl]oxy-2-methylpropan-2-ol
CID 58060124
N-[(E)-[2-(4,4-dimethylpiperidin-1-yl)-6-[2-(methylamino)ethoxy]pyrimidin-4-yl]methylideneamino]-5-ethyl-N-methylthiophen-2-amine
CID 89332332
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
3-methyl-N-[(E)-[4-[2-(methylamino)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneamino]aniline
CID 11187877
N-[(E)-(2-amino-5-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 11328144
ethyl N-[2-[[6-[[(3-methylphenyl)methylideneamino]methyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]carbamate
CID 58060069
N-[(E)-[6-[2-(methylamino)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methylideneamino]-1H-indol-3-amine
CID 11474893
N-[[4-[2-(methylamino)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneamino]naphthalen-2-amine
CID 66648026
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
1-(4-methylphenyl)-3-[2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]urea
CID 11583059
2-[4-[(Z)-C-(3,4-dimethylphenyl)carbonohydrazonoyl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-N-methylethanamine
CID 87089450

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[[6-[2-(methylamino)ethoxy]-2-morpholin-4-ylpyrimidin-4-yl]methylideneamino]methyl]aniline?
The IUPAC name of 4-methyl-2-[[[6-[2-(methylamino)ethoxy]-2-morpholin-4-ylpyrimidin-4-yl]methylideneamino]methyl]aniline (CID 58060620) is 4-methyl-2-[[[6-[2-(methylamino)ethoxy]-2-morpholin-4-ylpyrimidin-4-yl]methylideneamino]methyl]aniline.
What is the SMILES notation for 4-methyl-2-[[[6-[2-(methylamino)ethoxy]-2-morpholin-4-ylpyrimidin-4-yl]methylideneamino]methyl]aniline?
The canonical SMILES for 4-methyl-2-[[[6-[2-(methylamino)ethoxy]-2-morpholin-4-ylpyrimidin-4-yl]methylideneamino]methyl]aniline is CNCCOc1cc(/C=N/Cc2cc(C)ccc2N)nc(N2CCOCC2)n1.
What is the InChIKey of 4-methyl-2-[[[6-[2-(methylamino)ethoxy]-2-morpholin-4-ylpyrimidin-4-yl]methylideneamino]methyl]aniline?
The InChIKey is TWUJYJLDEPPIBM-OEAKJJBVSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-15-3-4-18(21)16(11-15)13-23-14-17-12-19(28-8-5-22-2)25-20(24-17)26-6-9-27-10-7-26/h3-4,11-12,14,22H,5-10,13,21H2,1-2H3/b23-14+.
What are the key properties of 4-methyl-2-[[[6-[2-(methylamino)ethoxy]-2-morpholin-4-ylpyrimidin-4-yl]methylideneamino]methyl]aniline?
4-methyl-2-[[[6-[2-(methylamino)ethoxy]-2-morpholin-4-ylpyrimidin-4-yl]methylideneamino]methyl]aniline has a molecular weight of 384.48 g/mol, XLogP of 1.42, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[[6-[2-(methylamino)ethoxy]-2-morpholin-4-ylpyrimidin-4-yl]methylideneamino]methyl]aniline is sourced from PubChem (CID 58060620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).