[5-methyl-6-(3-methyl-4-nitrophenoxy)pyrimidin-4-yl]hydrazine

C12H13N5O3 — CID 80920169

IUPAC[5-methyl-6-(3-methyl-4-nitrophenoxy)pyrimidin-4-yl]hydrazine
SMILESCc1cc(Oc2ncnc(NN)c2C)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H13N5O3/c1-7-5-9(3-4-10(7)17(18)19)20-12-8(2)11(16-13)14-6-15-12/h3-6H,13H2,1-2H3,(H,14,15,16)
InChIKeyBOBDUHAFSPERDD-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.08
Rot. Bonds4

About [5-methyl-6-(3-methyl-4-nitrophenoxy)pyrimidin-4-yl]hydrazine

[5-methyl-6-(3-methyl-4-nitrophenoxy)pyrimidin-4-yl]hydrazine (PubChem CID 80920169) has the molecular formula C12H13N5O3 and a molecular weight of 275.27 g/mol. Its IUPAC name is [5-methyl-6-(3-methyl-4-nitrophenoxy)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[5-methyl-6-(3-methyl-4-nitrophenoxy)pyrimidin-4-yl]hydrazine
PubChem CID80920169
Molecular FormulaC12H13N5O3
Molecular Weight275.27 g/mol
Exact Mass275.10
IUPAC Name[5-methyl-6-(3-methyl-4-nitrophenoxy)pyrimidin-4-yl]hydrazine
SMILESCc1cc(Oc2ncnc(NN)c2C)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H13N5O3/c1-7-5-9(3-4-10(7)17(18)19)20-12-8(2)11(16-13)14-6-15-12/h3-6H,13H2,1-2H3,(H,14,15,16)
InChIKeyBOBDUHAFSPERDD-UHFFFAOYSA-N
XLogP2.08
TPSA116.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-chloro-4-nitrophenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80921197
6-(2,5-dimethyl-4-nitrophenoxy)-N,5-dimethylpyrimidin-4-amine
CID 80879079
[6-(3,5-dimethoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80917651
N,5-dimethyl-6-(4-methyl-2-nitrophenoxy)pyrimidin-4-amine
CID 80870457
[6-(4-ethylphenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80915337
[6-(3-ethoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80930752
4-(3-methyl-4-nitrophenoxy)pyridin-2-amine
CID 23153294
6-(5-chloro-2-nitrophenoxy)-N,5-dimethylpyrimidin-4-amine
CID 80873099
ethane;4-methoxy-2-methyl-1-nitrobenzene
CID 142240098
2-ethyl-5-methyl-6-(3-methyl-4-nitrophenoxy)pyrimidin-4-amine
CID 80989485
[6-(2-bromo-4-methoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 104708877
4-(4-chloro-3-methylphenoxy)-6-hydrazinylpyrimidin-5-amine
CID 19150391

Frequently Asked Questions

What is the IUPAC name of [5-methyl-6-(3-methyl-4-nitrophenoxy)pyrimidin-4-yl]hydrazine?
The IUPAC name of [5-methyl-6-(3-methyl-4-nitrophenoxy)pyrimidin-4-yl]hydrazine (CID 80920169) is [5-methyl-6-(3-methyl-4-nitrophenoxy)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [5-methyl-6-(3-methyl-4-nitrophenoxy)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [5-methyl-6-(3-methyl-4-nitrophenoxy)pyrimidin-4-yl]hydrazine is Cc1cc(Oc2ncnc(NN)c2C)ccc1[N+](=O)[O-].
What is the InChIKey of [5-methyl-6-(3-methyl-4-nitrophenoxy)pyrimidin-4-yl]hydrazine?
The InChIKey is BOBDUHAFSPERDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3/c1-7-5-9(3-4-10(7)17(18)19)20-12-8(2)11(16-13)14-6-15-12/h3-6H,13H2,1-2H3,(H,14,15,16).
What are the key properties of [5-methyl-6-(3-methyl-4-nitrophenoxy)pyrimidin-4-yl]hydrazine?
[5-methyl-6-(3-methyl-4-nitrophenoxy)pyrimidin-4-yl]hydrazine has a molecular weight of 275.27 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-6-(3-methyl-4-nitrophenoxy)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80920169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).