[2-methyl-6-(2-methyl-5-nitrophenoxy)pyrimidin-4-yl]hydrazine

C12H13N5O3 — CID 80920604

IUPAC[2-methyl-6-(2-methyl-5-nitrophenoxy)pyrimidin-4-yl]hydrazine
SMILESCc1nc(NN)cc(Oc2cc([N+](=O)[O-])ccc2C)n1
InChIInChI=1S/C12H13N5O3/c1-7-3-4-9(17(18)19)5-10(7)20-12-6-11(16-13)14-8(2)15-12/h3-6H,13H2,1-2H3,(H,14,15,16)
InChIKeyBDHFYLONYWSRTO-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.08
Rot. Bonds4

About [2-methyl-6-(2-methyl-5-nitrophenoxy)pyrimidin-4-yl]hydrazine

[2-methyl-6-(2-methyl-5-nitrophenoxy)pyrimidin-4-yl]hydrazine (PubChem CID 80920604) has the molecular formula C12H13N5O3 and a molecular weight of 275.27 g/mol. Its IUPAC name is [2-methyl-6-(2-methyl-5-nitrophenoxy)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-methyl-6-(2-methyl-5-nitrophenoxy)pyrimidin-4-yl]hydrazine
PubChem CID80920604
Molecular FormulaC12H13N5O3
Molecular Weight275.27 g/mol
Exact Mass275.10
IUPAC Name[2-methyl-6-(2-methyl-5-nitrophenoxy)pyrimidin-4-yl]hydrazine
SMILESCc1nc(NN)cc(Oc2cc([N+](=O)[O-])ccc2C)n1
InChIInChI=1S/C12H13N5O3/c1-7-3-4-9(17(18)19)5-10(7)20-12-6-11(16-13)14-8(2)15-12/h3-6H,13H2,1-2H3,(H,14,15,16)
InChIKeyBDHFYLONYWSRTO-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-methoxy-5-nitrophenoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 80912867
[6-(5-bromo-2-methylphenoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 107287706
[6-(4-methoxy-2-nitrophenoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 80911771
6-(2-methoxy-5-nitrophenoxy)-N,2-dimethylpyrimidin-4-amine
CID 80878849
6-(2-chloro-4-nitrophenoxy)-N-ethyl-2-methylpyrimidin-4-amine
CID 80878741
[3,5-dichloro-6-(2-methyl-5-nitrophenoxy)-2-pyridinyl]hydrazine
CID 102762949
3-chloro-6-(2-methyl-5-nitrophenoxy)pyridazine
CID 54915676
5-chloro-2-(2-methyl-5-nitrophenoxy)pyridine
CID 66233897
5-bromo-2-(2-methyl-5-nitrophenoxy)pyridine
CID 61373997
[6-(3,4-dimethylphenoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 80915052
[2-methyl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-yl]hydrazine
CID 80916646
6-(2-methyl-5-nitrophenoxy)-N-propylpyrimidin-4-amine
CID 80878863

Frequently Asked Questions

What is the IUPAC name of [2-methyl-6-(2-methyl-5-nitrophenoxy)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-methyl-6-(2-methyl-5-nitrophenoxy)pyrimidin-4-yl]hydrazine (CID 80920604) is [2-methyl-6-(2-methyl-5-nitrophenoxy)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-methyl-6-(2-methyl-5-nitrophenoxy)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-methyl-6-(2-methyl-5-nitrophenoxy)pyrimidin-4-yl]hydrazine is Cc1nc(NN)cc(Oc2cc([N+](=O)[O-])ccc2C)n1.
What is the InChIKey of [2-methyl-6-(2-methyl-5-nitrophenoxy)pyrimidin-4-yl]hydrazine?
The InChIKey is BDHFYLONYWSRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3/c1-7-3-4-9(17(18)19)5-10(7)20-12-6-11(16-13)14-8(2)15-12/h3-6H,13H2,1-2H3,(H,14,15,16).
What are the key properties of [2-methyl-6-(2-methyl-5-nitrophenoxy)pyrimidin-4-yl]hydrazine?
[2-methyl-6-(2-methyl-5-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 [2-methyl-6-(2-methyl-5-nitrophenoxy)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80920604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).