4-methoxy-6-morpholin-4-yl-N-(naphthalen-1-ylmethylideneamino)-1,3,5-triazin-2-amine

C19H20N6O2 — CID 3099879

IUPAC4-methoxy-6-morpholin-4-yl-N-(naphthalen-1-ylmethylideneamino)-1,3,5-triazin-2-amine
SMILESCOc1nc(NN=Cc2cccc3ccccc23)nc(N2CCOCC2)n1
InChIInChI=1S/C19H20N6O2/c1-26-19-22-17(21-18(23-19)25-9-11-27-12-10-25)24-20-13-15-7-4-6-14-5-2-3-8-16(14)15/h2-8,13H,9-12H2,1H3,(H,21,22,23,24)
InChIKeyDGAKOHLKRHTYJQ-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.32
Rot. Bonds5

About 4-methoxy-6-morpholin-4-yl-N-(naphthalen-1-ylmethylideneamino)-1,3,5-triazin-2-amine

4-methoxy-6-morpholin-4-yl-N-(naphthalen-1-ylmethylideneamino)-1,3,5-triazin-2-amine (PubChem CID 3099879) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 4-methoxy-6-morpholin-4-yl-N-(naphthalen-1-ylmethylideneamino)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-morpholin-4-yl-N-(naphthalen-1-ylmethylideneamino)-1,3,5-triazin-2-amine
PubChem CID3099879
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name4-methoxy-6-morpholin-4-yl-N-(naphthalen-1-ylmethylideneamino)-1,3,5-triazin-2-amine
SMILESCOc1nc(NN=Cc2cccc3ccccc23)nc(N2CCOCC2)n1
InChIInChI=1S/C19H20N6O2/c1-26-19-22-17(21-18(23-19)25-9-11-27-12-10-25)24-20-13-15-7-4-6-14-5-2-3-8-16(14)15/h2-8,13H,9-12H2,1H3,(H,21,22,23,24)
InChIKeyDGAKOHLKRHTYJQ-UHFFFAOYSA-N
XLogP2.32
TPSA84.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.32
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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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-morpholin-4-yl-N-(naphthalen-1-ylmethylideneamino)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methoxy-6-morpholin-4-yl-N-(naphthalen-1-ylmethylideneamino)-1,3,5-triazin-2-amine (CID 3099879) is 4-methoxy-6-morpholin-4-yl-N-(naphthalen-1-ylmethylideneamino)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methoxy-6-morpholin-4-yl-N-(naphthalen-1-ylmethylideneamino)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methoxy-6-morpholin-4-yl-N-(naphthalen-1-ylmethylideneamino)-1,3,5-triazin-2-amine is COc1nc(NN=Cc2cccc3ccccc23)nc(N2CCOCC2)n1.
What is the InChIKey of 4-methoxy-6-morpholin-4-yl-N-(naphthalen-1-ylmethylideneamino)-1,3,5-triazin-2-amine?
The InChIKey is DGAKOHLKRHTYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-26-19-22-17(21-18(23-19)25-9-11-27-12-10-25)24-20-13-15-7-4-6-14-5-2-3-8-16(14)15/h2-8,13H,9-12H2,1H3,(H,21,22,23,24).
What are the key properties of 4-methoxy-6-morpholin-4-yl-N-(naphthalen-1-ylmethylideneamino)-1,3,5-triazin-2-amine?
4-methoxy-6-morpholin-4-yl-N-(naphthalen-1-ylmethylideneamino)-1,3,5-triazin-2-amine has a molecular weight of 364.41 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-morpholin-4-yl-N-(naphthalen-1-ylmethylideneamino)-1,3,5-triazin-2-amine is sourced from PubChem (CID 3099879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).