N-[[4-[2-(methylamino)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneamino]naphthalen-2-amine

C21H25N7O2 — CID 66648026

IUPACN-[[4-[2-(methylamino)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneamino]naphthalen-2-amine
SMILESCNCCOc1nc(C=NNc2ccc3ccccc3c2)nc(N2CCOCC2)n1
InChIInChI=1S/C21H25N7O2/c1-22-8-11-30-21-25-19(24-20(26-21)28-9-12-29-13-10-28)15-23-27-18-7-6-16-4-2-3-5-17(16)14-18/h2-7,14-15,22,27H,8-13H2,1H3
InChIKeyDHINBTRQDVLBOM-UHFFFAOYSA-N
MW407.48 g/mol
LogP1.91
Rot. Bonds8

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

N-[[4-[2-(methylamino)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneamino]naphthalen-2-amine (PubChem CID 66648026) has the molecular formula C21H25N7O2 and a molecular weight of 407.48 g/mol. Its IUPAC name is N-[[4-[2-(methylamino)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneamino]naphthalen-2-amine.

Molecular Properties

Compound NameN-[[4-[2-(methylamino)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneamino]naphthalen-2-amine
PubChem CID66648026
Molecular FormulaC21H25N7O2
Molecular Weight407.48 g/mol
Exact Mass407.21
IUPAC NameN-[[4-[2-(methylamino)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneamino]naphthalen-2-amine
SMILESCNCCOc1nc(C=NNc2ccc3ccccc3c2)nc(N2CCOCC2)n1
InChIInChI=1S/C21H25N7O2/c1-22-8-11-30-21-25-19(24-20(26-21)28-9-12-29-13-10-28)15-23-27-18-7-6-16-4-2-3-5-17(16)14-18/h2-7,14-15,22,27H,8-13H2,1H3
InChIKeyDHINBTRQDVLBOM-UHFFFAOYSA-N
XLogP1.91
TPSA96.79 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 51.91
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

3-methyl-N-[(E)-[4-[2-(methylamino)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneamino]aniline
CID 11187877
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
ethane;6-(2-morpholin-4-ylethoxy)-2-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]-N,N-dipropylpyrimidin-4-amine
CID 143533554
N-[(E)-[6-[2-(methylamino)ethoxy]-4-morpholin-4-yl-2-pyridinyl]methylideneamino]-1H-indol-3-amine
CID 11474893
2-N-[(Z)-(3-fluorophenyl)methylideneamino]-6-morpholin-4-yl-4-N-naphthalen-2-yl-1,3,5-triazine-2,4-diamine
CID 6075670
1-[2-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]ethyl]-3-phenylurea
CID 2975111
4-methoxy-6-morpholin-4-yl-N-(naphthalen-1-ylmethylideneamino)-1,3,5-triazin-2-amine
CID 3099879
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-(2-methylphenoxy)ethoxy]phenyl]methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine
CID 3504082
3-methyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]aniline
CID 11166016

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(methylamino)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneamino]naphthalen-2-amine?
The IUPAC name of N-[[4-[2-(methylamino)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneamino]naphthalen-2-amine (CID 66648026) is N-[[4-[2-(methylamino)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneamino]naphthalen-2-amine.
What is the SMILES notation for N-[[4-[2-(methylamino)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneamino]naphthalen-2-amine?
The canonical SMILES for N-[[4-[2-(methylamino)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneamino]naphthalen-2-amine is CNCCOc1nc(C=NNc2ccc3ccccc3c2)nc(N2CCOCC2)n1.
What is the InChIKey of N-[[4-[2-(methylamino)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneamino]naphthalen-2-amine?
The InChIKey is DHINBTRQDVLBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O2/c1-22-8-11-30-21-25-19(24-20(26-21)28-9-12-29-13-10-28)15-23-27-18-7-6-16-4-2-3-5-17(16)14-18/h2-7,14-15,22,27H,8-13H2,1H3.
What are the key properties of N-[[4-[2-(methylamino)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneamino]naphthalen-2-amine?
N-[[4-[2-(methylamino)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneamino]naphthalen-2-amine has a molecular weight of 407.48 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(methylamino)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneamino]naphthalen-2-amine is sourced from PubChem (CID 66648026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).