methyl (2E)-2-methoxyimino-2-[4-[(E)-1-methoxyiminopropan-2-ylideneamino]oxypyrimidin-5-yl]acetate;yttrium

C12H14N5O5Y- — CID 59951796

IUPACmethyl (2E)-2-methoxyimino-2-[4-[(E)-1-methoxyiminopropan-2-ylideneamino]oxypyrimidin-5-yl]acetate;yttrium
SMILESCO/N=[C-]/C(C)=N/Oc1ncncc1/C(=N\OC)C(=O)OC.[Y]
InChIInChI=1S/C12H14N5O5.Y/c1-8(5-15-20-3)16-22-11-9(6-13-7-14-11)10(17-21-4)12(18)19-2;/h6-7H,1-4H3;/q-1;/b16-8+,17-10+;
InChIKeyVZZWNJIXXHPATK-GWGCZSJTSA-N
MW397.18 g/mol
LogP0.26
Rot. Bonds7

About methyl (2E)-2-methoxyimino-2-[4-[(E)-1-methoxyiminopropan-2-ylideneamino]oxypyrimidin-5-yl]acetate;yttrium

methyl (2E)-2-methoxyimino-2-[4-[(E)-1-methoxyiminopropan-2-ylideneamino]oxypyrimidin-5-yl]acetate;yttrium (PubChem CID 59951796) has the molecular formula C12H14N5O5Y- and a molecular weight of 397.18 g/mol. Its IUPAC name is methyl (2E)-2-methoxyimino-2-[4-[(E)-1-methoxyiminopropan-2-ylideneamino]oxypyrimidin-5-yl]acetate;yttrium.

Molecular Properties

Compound Namemethyl (2E)-2-methoxyimino-2-[4-[(E)-1-methoxyiminopropan-2-ylideneamino]oxypyrimidin-5-yl]acetate;yttrium
PubChem CID59951796
Molecular FormulaC12H14N5O5Y-
Molecular Weight397.18 g/mol
Exact Mass397.01
IUPAC Namemethyl (2E)-2-methoxyimino-2-[4-[(E)-1-methoxyiminopropan-2-ylideneamino]oxypyrimidin-5-yl]acetate;yttrium
SMILESCO/N=[C-]/C(C)=N/Oc1ncncc1/C(=N\OC)C(=O)OC.[Y]
InChIInChI=1S/C12H14N5O5.Y/c1-8(5-15-20-3)16-22-11-9(6-13-7-14-11)10(17-21-4)12(18)19-2;/h6-7H,1-4H3;/q-1;/b16-8+,17-10+;
InChIKeyVZZWNJIXXHPATK-GWGCZSJTSA-N
XLogP0.26
TPSA116.85 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.18
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', '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 methyl (2E)-2-methoxyimino-2-[4-[(E)-1-methoxyiminopropan-2-ylideneamino]oxypyrimidin-5-yl]acetate;yttrium?
The IUPAC name of methyl (2E)-2-methoxyimino-2-[4-[(E)-1-methoxyiminopropan-2-ylideneamino]oxypyrimidin-5-yl]acetate;yttrium (CID 59951796) is methyl (2E)-2-methoxyimino-2-[4-[(E)-1-methoxyiminopropan-2-ylideneamino]oxypyrimidin-5-yl]acetate;yttrium.
What is the SMILES notation for methyl (2E)-2-methoxyimino-2-[4-[(E)-1-methoxyiminopropan-2-ylideneamino]oxypyrimidin-5-yl]acetate;yttrium?
The canonical SMILES for methyl (2E)-2-methoxyimino-2-[4-[(E)-1-methoxyiminopropan-2-ylideneamino]oxypyrimidin-5-yl]acetate;yttrium is CO/N=[C-]/C(C)=N/Oc1ncncc1/C(=N\OC)C(=O)OC.[Y].
What is the InChIKey of methyl (2E)-2-methoxyimino-2-[4-[(E)-1-methoxyiminopropan-2-ylideneamino]oxypyrimidin-5-yl]acetate;yttrium?
The InChIKey is VZZWNJIXXHPATK-GWGCZSJTSA-N. The full InChI is InChI=1S/C12H14N5O5.Y/c1-8(5-15-20-3)16-22-11-9(6-13-7-14-11)10(17-21-4)12(18)19-2;/h6-7H,1-4H3;/q-1;/b16-8+,17-10+;.
What are the key properties of methyl (2E)-2-methoxyimino-2-[4-[(E)-1-methoxyiminopropan-2-ylideneamino]oxypyrimidin-5-yl]acetate;yttrium?
methyl (2E)-2-methoxyimino-2-[4-[(E)-1-methoxyiminopropan-2-ylideneamino]oxypyrimidin-5-yl]acetate;yttrium has a molecular weight of 397.18 g/mol, XLogP of 0.26, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-methoxyimino-2-[4-[(E)-1-methoxyiminopropan-2-ylideneamino]oxypyrimidin-5-yl]acetate;yttrium is sourced from PubChem (CID 59951796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).