(E)-[2-[6-(2,6-dimethylmorpholin-4-yl)-5-nitropyrimidin-4-yl]oxyphenyl]methylidenehydrazine

C17H20N6O4 — CID 74227078

IUPAC(E)-[2-[6-(2,6-dimethylmorpholin-4-yl)-5-nitropyrimidin-4-yl]oxyphenyl]methylidenehydrazine
SMILESCC1CN(c2ncnc(Oc3ccccc3/C=N/N)c2[N+](=O)[O-])CC(C)O1
InChIInChI=1S/C17H20N6O4/c1-11-8-22(9-12(2)26-11)16-15(23(24)25)17(20-10-19-16)27-14-6-4-3-5-13(14)7-21-18/h3-7,10-12H,8-9,18H2,1-2H3/b21-7+
InChIKeyWAXLAHRCAQFREU-QPSGOUHRSA-N
MW372.39 g/mol
LogP2.08
Rot. Bonds5

About (E)-[2-[6-(2,6-dimethylmorpholin-4-yl)-5-nitropyrimidin-4-yl]oxyphenyl]methylidenehydrazine

(E)-[2-[6-(2,6-dimethylmorpholin-4-yl)-5-nitropyrimidin-4-yl]oxyphenyl]methylidenehydrazine (PubChem CID 74227078) has the molecular formula C17H20N6O4 and a molecular weight of 372.39 g/mol. Its IUPAC name is (E)-[2-[6-(2,6-dimethylmorpholin-4-yl)-5-nitropyrimidin-4-yl]oxyphenyl]methylidenehydrazine.

Molecular Properties

Compound Name(E)-[2-[6-(2,6-dimethylmorpholin-4-yl)-5-nitropyrimidin-4-yl]oxyphenyl]methylidenehydrazine
PubChem CID74227078
Molecular FormulaC17H20N6O4
Molecular Weight372.39 g/mol
Exact Mass372.15
IUPAC Name(E)-[2-[6-(2,6-dimethylmorpholin-4-yl)-5-nitropyrimidin-4-yl]oxyphenyl]methylidenehydrazine
SMILESCC1CN(c2ncnc(Oc3ccccc3/C=N/N)c2[N+](=O)[O-])CC(C)O1
InChIInChI=1S/C17H20N6O4/c1-11-8-22(9-12(2)26-11)16-15(23(24)25)17(20-10-19-16)27-14-6-4-3-5-13(14)7-21-18/h3-7,10-12H,8-9,18H2,1-2H3/b21-7+
InChIKeyWAXLAHRCAQFREU-QPSGOUHRSA-N
XLogP2.08
TPSA129.00 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethyl-4-[5-nitro-6-[4-(thiadiazol-4-yl)phenoxy]pyrimidin-4-yl]morpholine
CID 3296139
6-[6-(2,6-dimethylmorpholin-4-yl)-5-nitropyrimidin-4-yl]oxy-4-methylchromen-2-one
CID 3713515
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-methyl-5-nitropyrimidin-4-amine
CID 38739450
2-[6-(2-methoxyphenoxy)-5-nitropyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 22531642
1-(6-naphthalen-1-yloxy-5-nitropyrimidin-4-yl)azepane
CID 23479857
N-[(E)-[5-chloro-2-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxyphenyl]methylideneamino]-N-methylmethanamine
CID 74225170
6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-N-methyl-5-nitro-2-N-phenylpyrimidine-2,4-diamine
CID 40540393
ethyl 4-[[6-(2,6-dimethylmorpholin-4-yl)-5-nitropyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 3717283
2-[6-(4-methoxyphenoxy)-5-nitropyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 22531643
4-(4-methylpiperazin-1-yl)-6-naphthalen-2-yloxy-5-nitropyrimidine
CID 23482158
1-[7-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)oxy-1-benzofuran-2-yl]ethanone
CID 3332008
1-(5-nitro-6-phenoxypyrimidin-4-yl)piperidine-4-carboxylic acid
CID 22537397

Frequently Asked Questions

What is the IUPAC name of (E)-[2-[6-(2,6-dimethylmorpholin-4-yl)-5-nitropyrimidin-4-yl]oxyphenyl]methylidenehydrazine?
The IUPAC name of (E)-[2-[6-(2,6-dimethylmorpholin-4-yl)-5-nitropyrimidin-4-yl]oxyphenyl]methylidenehydrazine (CID 74227078) is (E)-[2-[6-(2,6-dimethylmorpholin-4-yl)-5-nitropyrimidin-4-yl]oxyphenyl]methylidenehydrazine.
What is the SMILES notation for (E)-[2-[6-(2,6-dimethylmorpholin-4-yl)-5-nitropyrimidin-4-yl]oxyphenyl]methylidenehydrazine?
The canonical SMILES for (E)-[2-[6-(2,6-dimethylmorpholin-4-yl)-5-nitropyrimidin-4-yl]oxyphenyl]methylidenehydrazine is CC1CN(c2ncnc(Oc3ccccc3/C=N/N)c2[N+](=O)[O-])CC(C)O1.
What is the InChIKey of (E)-[2-[6-(2,6-dimethylmorpholin-4-yl)-5-nitropyrimidin-4-yl]oxyphenyl]methylidenehydrazine?
The InChIKey is WAXLAHRCAQFREU-QPSGOUHRSA-N. The full InChI is InChI=1S/C17H20N6O4/c1-11-8-22(9-12(2)26-11)16-15(23(24)25)17(20-10-19-16)27-14-6-4-3-5-13(14)7-21-18/h3-7,10-12H,8-9,18H2,1-2H3/b21-7+.
What are the key properties of (E)-[2-[6-(2,6-dimethylmorpholin-4-yl)-5-nitropyrimidin-4-yl]oxyphenyl]methylidenehydrazine?
(E)-[2-[6-(2,6-dimethylmorpholin-4-yl)-5-nitropyrimidin-4-yl]oxyphenyl]methylidenehydrazine has a molecular weight of 372.39 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-[2-[6-(2,6-dimethylmorpholin-4-yl)-5-nitropyrimidin-4-yl]oxyphenyl]methylidenehydrazine is sourced from PubChem (CID 74227078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).