2-[4-[(E)-C-(4,5-dimethylfuran-2-yl)carbonohydrazonoyl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-N-methylethanamine

C18H26N6O3 — CID 87089565

IUPAC2-[4-[(E)-C-(4,5-dimethylfuran-2-yl)carbonohydrazonoyl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-N-methylethanamine
SMILESCNCCOc1nc(/C(=N\N)c2cc(C)c(C)o2)cc(N2CCOCC2)n1
InChIInChI=1S/C18H26N6O3/c1-12-10-15(27-13(12)2)17(23-19)14-11-16(24-5-8-25-9-6-24)22-18(21-14)26-7-4-20-3/h10-11,20H,4-9,19H2,1-3H3/b23-17+
InChIKeyPPYQVWGWBVZSEZ-HAVVHWLPSA-N
MW374.45 g/mol
LogP0.83
Rot. Bonds7

About 2-[4-[(E)-C-(4,5-dimethylfuran-2-yl)carbonohydrazonoyl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-N-methylethanamine

2-[4-[(E)-C-(4,5-dimethylfuran-2-yl)carbonohydrazonoyl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-N-methylethanamine (PubChem CID 87089565) has the molecular formula C18H26N6O3 and a molecular weight of 374.45 g/mol. Its IUPAC name is 2-[4-[(E)-C-(4,5-dimethylfuran-2-yl)carbonohydrazonoyl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-N-methylethanamine.

Molecular Properties

Compound Name2-[4-[(E)-C-(4,5-dimethylfuran-2-yl)carbonohydrazonoyl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-N-methylethanamine
PubChem CID87089565
Molecular FormulaC18H26N6O3
Molecular Weight374.45 g/mol
Exact Mass374.21
IUPAC Name2-[4-[(E)-C-(4,5-dimethylfuran-2-yl)carbonohydrazonoyl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-N-methylethanamine
SMILESCNCCOc1nc(/C(=N\N)c2cc(C)c(C)o2)cc(N2CCOCC2)n1
InChIInChI=1S/C18H26N6O3/c1-12-10-15(27-13(12)2)17(23-19)14-11-16(24-5-8-25-9-6-24)22-18(21-14)26-7-4-20-3/h10-11,20H,4-9,19H2,1-3H3/b23-17+
InChIKeyPPYQVWGWBVZSEZ-HAVVHWLPSA-N
XLogP0.83
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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 2-[4-[(E)-C-(4,5-dimethylfuran-2-yl)carbonohydrazonoyl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-N-methylethanamine?
The IUPAC name of 2-[4-[(E)-C-(4,5-dimethylfuran-2-yl)carbonohydrazonoyl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-N-methylethanamine (CID 87089565) is 2-[4-[(E)-C-(4,5-dimethylfuran-2-yl)carbonohydrazonoyl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-N-methylethanamine.
What is the SMILES notation for 2-[4-[(E)-C-(4,5-dimethylfuran-2-yl)carbonohydrazonoyl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-N-methylethanamine?
The canonical SMILES for 2-[4-[(E)-C-(4,5-dimethylfuran-2-yl)carbonohydrazonoyl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-N-methylethanamine is CNCCOc1nc(/C(=N\N)c2cc(C)c(C)o2)cc(N2CCOCC2)n1.
What is the InChIKey of 2-[4-[(E)-C-(4,5-dimethylfuran-2-yl)carbonohydrazonoyl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-N-methylethanamine?
The InChIKey is PPYQVWGWBVZSEZ-HAVVHWLPSA-N. The full InChI is InChI=1S/C18H26N6O3/c1-12-10-15(27-13(12)2)17(23-19)14-11-16(24-5-8-25-9-6-24)22-18(21-14)26-7-4-20-3/h10-11,20H,4-9,19H2,1-3H3/b23-17+.
What are the key properties of 2-[4-[(E)-C-(4,5-dimethylfuran-2-yl)carbonohydrazonoyl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-N-methylethanamine?
2-[4-[(E)-C-(4,5-dimethylfuran-2-yl)carbonohydrazonoyl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-N-methylethanamine has a molecular weight of 374.45 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-C-(4,5-dimethylfuran-2-yl)carbonohydrazonoyl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-N-methylethanamine is sourced from PubChem (CID 87089565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).