(E)-1-[6-[3-[(E)-1-(4,6-dimethoxypyrimidin-2-yl)ethylideneamino]oxypropyl]-2-pyridinyl]-N-methoxyethanimine

C19H25N5O4 — CID 87171782

IUPAC(E)-1-[6-[3-[(E)-1-(4,6-dimethoxypyrimidin-2-yl)ethylideneamino]oxypropyl]-2-pyridinyl]-N-methoxyethanimine
SMILESCO/N=C(\C)c1cccc(CCCO/N=C(\C)c2nc(OC)cc(OC)n2)n1
InChIInChI=1S/C19H25N5O4/c1-13(23-27-5)16-10-6-8-15(20-16)9-7-11-28-24-14(2)19-21-17(25-3)12-18(22-19)26-4/h6,8,10,12H,7,9,11H2,1-5H3/b23-13+,24-14+
InChIKeyQXCUDKKHCLUBQX-RNIAWFEPSA-N
MW387.44 g/mol
LogP2.63
Rot. Bonds10

About (E)-1-[6-[3-[(E)-1-(4,6-dimethoxypyrimidin-2-yl)ethylideneamino]oxypropyl]-2-pyridinyl]-N-methoxyethanimine

(E)-1-[6-[3-[(E)-1-(4,6-dimethoxypyrimidin-2-yl)ethylideneamino]oxypropyl]-2-pyridinyl]-N-methoxyethanimine (PubChem CID 87171782) has the molecular formula C19H25N5O4 and a molecular weight of 387.44 g/mol. Its IUPAC name is (E)-1-[6-[3-[(E)-1-(4,6-dimethoxypyrimidin-2-yl)ethylideneamino]oxypropyl]-2-pyridinyl]-N-methoxyethanimine.

Molecular Properties

Compound Name(E)-1-[6-[3-[(E)-1-(4,6-dimethoxypyrimidin-2-yl)ethylideneamino]oxypropyl]-2-pyridinyl]-N-methoxyethanimine
PubChem CID87171782
Molecular FormulaC19H25N5O4
Molecular Weight387.44 g/mol
Exact Mass387.19
IUPAC Name(E)-1-[6-[3-[(E)-1-(4,6-dimethoxypyrimidin-2-yl)ethylideneamino]oxypropyl]-2-pyridinyl]-N-methoxyethanimine
SMILESCO/N=C(\C)c1cccc(CCCO/N=C(\C)c2nc(OC)cc(OC)n2)n1
InChIInChI=1S/C19H25N5O4/c1-13(23-27-5)16-10-6-8-15(20-16)9-7-11-28-24-14(2)19-21-17(25-3)12-18(22-19)26-4/h6,8,10,12H,7,9,11H2,1-5H3/b23-13+,24-14+
InChIKeyQXCUDKKHCLUBQX-RNIAWFEPSA-N
XLogP2.63
TPSA100.31 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.63
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of (E)-1-[6-[3-[(E)-1-(4,6-dimethoxypyrimidin-2-yl)ethylideneamino]oxypropyl]-2-pyridinyl]-N-methoxyethanimine?
The IUPAC name of (E)-1-[6-[3-[(E)-1-(4,6-dimethoxypyrimidin-2-yl)ethylideneamino]oxypropyl]-2-pyridinyl]-N-methoxyethanimine (CID 87171782) is (E)-1-[6-[3-[(E)-1-(4,6-dimethoxypyrimidin-2-yl)ethylideneamino]oxypropyl]-2-pyridinyl]-N-methoxyethanimine.
What is the SMILES notation for (E)-1-[6-[3-[(E)-1-(4,6-dimethoxypyrimidin-2-yl)ethylideneamino]oxypropyl]-2-pyridinyl]-N-methoxyethanimine?
The canonical SMILES for (E)-1-[6-[3-[(E)-1-(4,6-dimethoxypyrimidin-2-yl)ethylideneamino]oxypropyl]-2-pyridinyl]-N-methoxyethanimine is CO/N=C(\C)c1cccc(CCCO/N=C(\C)c2nc(OC)cc(OC)n2)n1.
What is the InChIKey of (E)-1-[6-[3-[(E)-1-(4,6-dimethoxypyrimidin-2-yl)ethylideneamino]oxypropyl]-2-pyridinyl]-N-methoxyethanimine?
The InChIKey is QXCUDKKHCLUBQX-RNIAWFEPSA-N. The full InChI is InChI=1S/C19H25N5O4/c1-13(23-27-5)16-10-6-8-15(20-16)9-7-11-28-24-14(2)19-21-17(25-3)12-18(22-19)26-4/h6,8,10,12H,7,9,11H2,1-5H3/b23-13+,24-14+.
What are the key properties of (E)-1-[6-[3-[(E)-1-(4,6-dimethoxypyrimidin-2-yl)ethylideneamino]oxypropyl]-2-pyridinyl]-N-methoxyethanimine?
(E)-1-[6-[3-[(E)-1-(4,6-dimethoxypyrimidin-2-yl)ethylideneamino]oxypropyl]-2-pyridinyl]-N-methoxyethanimine has a molecular weight of 387.44 g/mol, XLogP of 2.63, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[6-[3-[(E)-1-(4,6-dimethoxypyrimidin-2-yl)ethylideneamino]oxypropyl]-2-pyridinyl]-N-methoxyethanimine is sourced from PubChem (CID 87171782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).