N-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine

C19H25N7O3 — CID 5340724

IUPACN-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESCOc1ccc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C19H25N7O3/c1-27-16-4-2-15(3-5-16)14-20-24-17-21-18(25-6-10-28-11-7-25)23-19(22-17)26-8-12-29-13-9-26/h2-5,14H,6-13H2,1H3,(H,21,22,23,24)/b20-14+
InChIKeyHICMQZJXAPXBOT-XSFVSMFZSA-N
MW399.46 g/mol
LogP1.00
Rot. Bonds6

About N-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine

N-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 5340724) has the molecular formula C19H25N7O3 and a molecular weight of 399.46 g/mol. Its IUPAC name is N-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID5340724
Molecular FormulaC19H25N7O3
Molecular Weight399.46 g/mol
Exact Mass399.20
IUPAC NameN-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESCOc1ccc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C19H25N7O3/c1-27-16-4-2-15(3-5-16)14-20-24-17-21-18(25-6-10-28-11-7-25)23-19(22-17)26-8-12-29-13-9-26/h2-5,14H,6-13H2,1H3,(H,21,22,23,24)/b20-14+
InChIKeyHICMQZJXAPXBOT-XSFVSMFZSA-N
XLogP1.00
TPSA97.23 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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 N-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (CID 5340724) is N-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is COc1ccc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of N-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is HICMQZJXAPXBOT-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H25N7O3/c1-27-16-4-2-15(3-5-16)14-20-24-17-21-18(25-6-10-28-11-7-25)23-19(22-17)26-8-12-29-13-9-26/h2-5,14H,6-13H2,1H3,(H,21,22,23,24)/b20-14+.
What are the key properties of N-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
N-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 399.46 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 5340724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).