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

C19H25N5O4 — CID 123612399

IUPAC1-[6-[3-[1-(4,6-dimethoxypyrimidin-2-yl)ethylideneamino]oxypropyl]-2-pyridinyl]-N-methoxyethanimine
SMILESCON=C(C)c1cccc(CCCON=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
InChIKeyQXCUDKKHCLUBQX-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.63
Rot. Bonds10

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

1-[6-[3-[1-(4,6-dimethoxypyrimidin-2-yl)ethylideneamino]oxypropyl]-2-pyridinyl]-N-methoxyethanimine (PubChem CID 123612399) has the molecular formula C19H25N5O4 and a molecular weight of 387.44 g/mol. Its IUPAC name is 1-[6-[3-[1-(4,6-dimethoxypyrimidin-2-yl)ethylideneamino]oxypropyl]-2-pyridinyl]-N-methoxyethanimine.

Molecular Properties

Compound Name1-[6-[3-[1-(4,6-dimethoxypyrimidin-2-yl)ethylideneamino]oxypropyl]-2-pyridinyl]-N-methoxyethanimine
PubChem CID123612399
Molecular FormulaC19H25N5O4
Molecular Weight387.44 g/mol
Exact Mass387.19
IUPAC Name1-[6-[3-[1-(4,6-dimethoxypyrimidin-2-yl)ethylideneamino]oxypropyl]-2-pyridinyl]-N-methoxyethanimine
SMILESCON=C(C)c1cccc(CCCON=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
InChIKeyQXCUDKKHCLUBQX-UHFFFAOYSA-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'}

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

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

Launch Full Analysis

Related Compounds

(E)-1-[6-[3-[(E)-1-(4,6-dimethoxypyrimidin-2-yl)ethylideneamino]oxypropyl]-2-pyridinyl]-N-methoxyethanimine
CID 87171782
N-[3-[6-(N-methoxy-C-methylcarbonimidoyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine
CID 123636438
6-[(E)-N-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-C-methylcarbonimidoyl]pyridin-2-amine
CID 88584214
N-[3-[4-methoxy-6-(N-methoxy-C-methylcarbonimidoyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine
CID 123248011
(E)-N-methoxy-1-[6-[3-[(E)-1-[6-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)-2-pyridinyl]ethylideneamino]oxypropyl]-2-pyridinyl]ethanimine
CID 88584079
(Z)-N-[3-[6-[(Z)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-2-methyl-6,7-dihydro-5H-quinazolin-8-imine
CID 131741428
(E)-N-methoxy-1-[6-[3-[6-(6-methyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]ethanimine
CID 89419496
6-[3-[1-(6-methyl-2-pyridinyl)ethylideneamino]oxypropyl]pyridin-2-amine
CID 123349027
(E)-N-methoxy-1-[6-[3-[6-(6-methylsulfanyl-2-pyridinyl)-2-pyridinyl]propyl]-2-pyridinyl]ethanimine
CID 89419521
2-[6-[3-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxypropyl]-2-pyridinyl]acetaldehyde
CID 87170194
6-[3-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxypropyl]pyridine-2-carbaldehyde
CID 87170147
(E)-N-methoxy-1-[6-[3-methylidene-5-(6-prop-1-en-2-yl-2-pyridinyl)pentyl]-2-pyridinyl]ethanimine
CID 89419468

Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-[1-(4,6-dimethoxypyrimidin-2-yl)ethylideneamino]oxypropyl]-2-pyridinyl]-N-methoxyethanimine?
The IUPAC name of 1-[6-[3-[1-(4,6-dimethoxypyrimidin-2-yl)ethylideneamino]oxypropyl]-2-pyridinyl]-N-methoxyethanimine (CID 123612399) is 1-[6-[3-[1-(4,6-dimethoxypyrimidin-2-yl)ethylideneamino]oxypropyl]-2-pyridinyl]-N-methoxyethanimine.
What is the SMILES notation for 1-[6-[3-[1-(4,6-dimethoxypyrimidin-2-yl)ethylideneamino]oxypropyl]-2-pyridinyl]-N-methoxyethanimine?
The canonical SMILES for 1-[6-[3-[1-(4,6-dimethoxypyrimidin-2-yl)ethylideneamino]oxypropyl]-2-pyridinyl]-N-methoxyethanimine is CON=C(C)c1cccc(CCCON=C(C)c2nc(OC)cc(OC)n2)n1.
What is the InChIKey of 1-[6-[3-[1-(4,6-dimethoxypyrimidin-2-yl)ethylideneamino]oxypropyl]-2-pyridinyl]-N-methoxyethanimine?
The InChIKey is QXCUDKKHCLUBQX-UHFFFAOYSA-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.
What are the key properties of 1-[6-[3-[1-(4,6-dimethoxypyrimidin-2-yl)ethylideneamino]oxypropyl]-2-pyridinyl]-N-methoxyethanimine?
1-[6-[3-[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 1-[6-[3-[1-(4,6-dimethoxypyrimidin-2-yl)ethylideneamino]oxypropyl]-2-pyridinyl]-N-methoxyethanimine is sourced from PubChem (CID 123612399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).