[6-(2-methoxy-5-nitrophenoxy)-2-methylpyrimidin-4-yl]hydrazine

C12H13N5O4 — CID 80912867

IUPAC[6-(2-methoxy-5-nitrophenoxy)-2-methylpyrimidin-4-yl]hydrazine
SMILESCOc1ccc([N+](=O)[O-])cc1Oc1cc(NN)nc(C)n1
InChIInChI=1S/C12H13N5O4/c1-7-14-11(16-13)6-12(15-7)21-10-5-8(17(18)19)3-4-9(10)20-2/h3-6H,13H2,1-2H3,(H,14,15,16)
InChIKeyJLKIGMSMRGQZPY-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.78
Rot. Bonds5

About [6-(2-methoxy-5-nitrophenoxy)-2-methylpyrimidin-4-yl]hydrazine

[6-(2-methoxy-5-nitrophenoxy)-2-methylpyrimidin-4-yl]hydrazine (PubChem CID 80912867) has the molecular formula C12H13N5O4 and a molecular weight of 291.27 g/mol. Its IUPAC name is [6-(2-methoxy-5-nitrophenoxy)-2-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(2-methoxy-5-nitrophenoxy)-2-methylpyrimidin-4-yl]hydrazine
PubChem CID80912867
Molecular FormulaC12H13N5O4
Molecular Weight291.27 g/mol
Exact Mass291.10
IUPAC Name[6-(2-methoxy-5-nitrophenoxy)-2-methylpyrimidin-4-yl]hydrazine
SMILESCOc1ccc([N+](=O)[O-])cc1Oc1cc(NN)nc(C)n1
InChIInChI=1S/C12H13N5O4/c1-7-14-11(16-13)6-12(15-7)21-10-5-8(17(18)19)3-4-9(10)20-2/h3-6H,13H2,1-2H3,(H,14,15,16)
InChIKeyJLKIGMSMRGQZPY-UHFFFAOYSA-N
XLogP1.78
TPSA125.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

6-(2-methoxy-5-nitrophenoxy)-N,2-dimethylpyrimidin-4-amine
CID 80878849
[2-methyl-6-(2-methyl-5-nitrophenoxy)pyrimidin-4-yl]hydrazine
CID 80920604
[6-(4-methoxy-2-nitrophenoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 80911771
6-(2-chloro-4-nitrophenoxy)-N-ethyl-2-methylpyrimidin-4-amine
CID 80878741
2-ethyl-6-(2-methoxy-5-nitrophenoxy)pyrimidin-4-amine
CID 80938897
2-fluoro-6-(2-methoxy-5-nitrophenoxy)pyridine
CID 61227798
6-(2-methoxy-5-nitrophenoxy)pyrimidin-4-amine
CID 80871254
4-chloro-6-(2-methoxy-4-nitrophenoxy)pyrimidin-2-amine
CID 78916228
[6-(2-chloro-4-nitrophenoxy)pyrimidin-4-yl]hydrazine
CID 80920687
2-(2-fluoro-4-nitrophenoxy)-1-methoxy-4-nitrobenzene
CID 154791901
[2-methyl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-yl]hydrazine
CID 80916646
2-(2-methoxy-5-nitrophenoxy)ethanamine
CID 18980081

Frequently Asked Questions

What is the IUPAC name of [6-(2-methoxy-5-nitrophenoxy)-2-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(2-methoxy-5-nitrophenoxy)-2-methylpyrimidin-4-yl]hydrazine (CID 80912867) is [6-(2-methoxy-5-nitrophenoxy)-2-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(2-methoxy-5-nitrophenoxy)-2-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(2-methoxy-5-nitrophenoxy)-2-methylpyrimidin-4-yl]hydrazine is COc1ccc([N+](=O)[O-])cc1Oc1cc(NN)nc(C)n1.
What is the InChIKey of [6-(2-methoxy-5-nitrophenoxy)-2-methylpyrimidin-4-yl]hydrazine?
The InChIKey is JLKIGMSMRGQZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O4/c1-7-14-11(16-13)6-12(15-7)21-10-5-8(17(18)19)3-4-9(10)20-2/h3-6H,13H2,1-2H3,(H,14,15,16).
What are the key properties of [6-(2-methoxy-5-nitrophenoxy)-2-methylpyrimidin-4-yl]hydrazine?
[6-(2-methoxy-5-nitrophenoxy)-2-methylpyrimidin-4-yl]hydrazine has a molecular weight of 291.27 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-methoxy-5-nitrophenoxy)-2-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80912867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).