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

C19H24N8O5 — CID 3338224

IUPACN-[(2-methoxy-3-nitrophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESCOc1c(C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cccc1[N+](=O)[O-]
InChIInChI=1S/C19H24N8O5/c1-30-16-14(3-2-4-15(16)27(28)29)13-20-24-17-21-18(25-5-9-31-10-6-25)23-19(22-17)26-7-11-32-12-8-26/h2-4,13H,5-12H2,1H3,(H,21,22,23,24)
InChIKeyBDILAMBHYGKYTL-UHFFFAOYSA-N
MW444.45 g/mol
LogP0.91
Rot. Bonds7

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

N-[(2-methoxy-3-nitrophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 3338224) has the molecular formula C19H24N8O5 and a molecular weight of 444.45 g/mol. Its IUPAC name is N-[(2-methoxy-3-nitrophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[(2-methoxy-3-nitrophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID3338224
Molecular FormulaC19H24N8O5
Molecular Weight444.45 g/mol
Exact Mass444.19
IUPAC NameN-[(2-methoxy-3-nitrophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
SMILESCOc1c(C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cccc1[N+](=O)[O-]
InChIInChI=1S/C19H24N8O5/c1-30-16-14(3-2-4-15(16)27(28)29)13-20-24-17-21-18(25-5-9-31-10-6-25)23-19(22-17)26-7-11-32-12-8-26/h2-4,13H,5-12H2,1H3,(H,21,22,23,24)
InChIKeyBDILAMBHYGKYTL-UHFFFAOYSA-N
XLogP0.91
TPSA140.37 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.45
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(2-methoxy-3-nitrophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3-nitrophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-[(2-methoxy-3-nitrophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine (CID 3338224) is N-[(2-methoxy-3-nitrophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[(2-methoxy-3-nitrophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-[(2-methoxy-3-nitrophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is COc1c(C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cccc1[N+](=O)[O-].
What is the InChIKey of N-[(2-methoxy-3-nitrophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is BDILAMBHYGKYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8O5/c1-30-16-14(3-2-4-15(16)27(28)29)13-20-24-17-21-18(25-5-9-31-10-6-25)23-19(22-17)26-7-11-32-12-8-26/h2-4,13H,5-12H2,1H3,(H,21,22,23,24).
What are the key properties of N-[(2-methoxy-3-nitrophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine?
N-[(2-methoxy-3-nitrophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 444.45 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-3-nitrophenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 3338224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).