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

C11H11N5O3 — CID 80920854

IUPAC[4-methyl-6-(4-nitrophenoxy)pyrimidin-2-yl]hydrazine
SMILESCc1cc(Oc2ccc([N+](=O)[O-])cc2)nc(NN)n1
InChIInChI=1S/C11H11N5O3/c1-7-6-10(14-11(13-7)15-12)19-9-4-2-8(3-5-9)16(17)18/h2-6H,12H2,1H3,(H,13,14,15)
InChIKeyNJZPDBBKYZJLAC-UHFFFAOYSA-N
MW261.24 g/mol
LogP1.77
Rot. Bonds4

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

[4-methyl-6-(4-nitrophenoxy)pyrimidin-2-yl]hydrazine (PubChem CID 80920854) has the molecular formula C11H11N5O3 and a molecular weight of 261.24 g/mol. Its IUPAC name is [4-methyl-6-(4-nitrophenoxy)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-methyl-6-(4-nitrophenoxy)pyrimidin-2-yl]hydrazine
PubChem CID80920854
Molecular FormulaC11H11N5O3
Molecular Weight261.24 g/mol
Exact Mass261.09
IUPAC Name[4-methyl-6-(4-nitrophenoxy)pyrimidin-2-yl]hydrazine
SMILESCc1cc(Oc2ccc([N+](=O)[O-])cc2)nc(NN)n1
InChIInChI=1S/C11H11N5O3/c1-7-6-10(14-11(13-7)15-12)19-9-4-2-8(3-5-9)16(17)18/h2-6H,12H2,1H3,(H,13,14,15)
InChIKeyNJZPDBBKYZJLAC-UHFFFAOYSA-N
XLogP1.77
TPSA116.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 51.77
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

[4-(4-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80920432
2-cyclopropyl-4-methyl-6-(4-nitrophenoxy)pyrimidine
CID 122135394
[4-(3,5-dimethylphenoxy)-6-methylpyrimidin-2-yl]hydrazine
CID 80915689
[4-(3-iodophenoxy)-6-methylpyrimidin-2-yl]hydrazine
CID 80916371
2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-6-(4-nitrophenoxy)pyrimidine
CID 46033925
[4-(4-bromo-5-fluoro-2-nitrophenoxy)-6-methylpyrimidin-2-yl]hydrazine
CID 103484708
4-(2-chloro-4-nitrophenoxy)-N,6-dimethylpyrimidin-2-amine
CID 80871357
[4-methyl-6-(3-nitrophenyl)pyrimidin-2-yl]hydrazine
CID 82192470
[4-(3-ethylphenoxy)-6-methylpyrimidin-2-yl]hydrazine
CID 80913357
6-(4-nitrophenoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80966351
4-N-ethyl-6-(4-nitrophenoxy)pyrimidine-2,4-diamine
CID 80870871
6-(2-hydrazinyl-6-methylpyrimidin-4-yl)oxy-3,4-dihydro-1H-quinolin-2-one
CID 80909861

Frequently Asked Questions

What is the IUPAC name of [4-methyl-6-(4-nitrophenoxy)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-methyl-6-(4-nitrophenoxy)pyrimidin-2-yl]hydrazine (CID 80920854) is [4-methyl-6-(4-nitrophenoxy)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-methyl-6-(4-nitrophenoxy)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-methyl-6-(4-nitrophenoxy)pyrimidin-2-yl]hydrazine is Cc1cc(Oc2ccc([N+](=O)[O-])cc2)nc(NN)n1.
What is the InChIKey of [4-methyl-6-(4-nitrophenoxy)pyrimidin-2-yl]hydrazine?
The InChIKey is NJZPDBBKYZJLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3/c1-7-6-10(14-11(13-7)15-12)19-9-4-2-8(3-5-9)16(17)18/h2-6H,12H2,1H3,(H,13,14,15).
What are the key properties of [4-methyl-6-(4-nitrophenoxy)pyrimidin-2-yl]hydrazine?
[4-methyl-6-(4-nitrophenoxy)pyrimidin-2-yl]hydrazine has a molecular weight of 261.24 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-6-(4-nitrophenoxy)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80920854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).