[4-(6-hydrazinyl-5-nitropyrimidin-4-yl)oxyphenyl]methanol

C11H11N5O4 — CID 80920876

IUPAC[4-(6-hydrazinyl-5-nitropyrimidin-4-yl)oxyphenyl]methanol
SMILESNNc1ncnc(Oc2ccc(CO)cc2)c1[N+](=O)[O-]
InChIInChI=1S/C11H11N5O4/c12-15-10-9(16(18)19)11(14-6-13-10)20-8-3-1-7(5-17)2-4-8/h1-4,6,17H,5,12H2,(H,13,14,15)
InChIKeyFPSQQCJVEIWQQR-UHFFFAOYSA-N
MW277.24 g/mol
LogP0.95
Rot. Bonds5

About [4-(6-hydrazinyl-5-nitropyrimidin-4-yl)oxyphenyl]methanol

[4-(6-hydrazinyl-5-nitropyrimidin-4-yl)oxyphenyl]methanol (PubChem CID 80920876) has the molecular formula C11H11N5O4 and a molecular weight of 277.24 g/mol. Its IUPAC name is [4-(6-hydrazinyl-5-nitropyrimidin-4-yl)oxyphenyl]methanol.

Molecular Properties

Compound Name[4-(6-hydrazinyl-5-nitropyrimidin-4-yl)oxyphenyl]methanol
PubChem CID80920876
Molecular FormulaC11H11N5O4
Molecular Weight277.24 g/mol
Exact Mass277.08
IUPAC Name[4-(6-hydrazinyl-5-nitropyrimidin-4-yl)oxyphenyl]methanol
SMILESNNc1ncnc(Oc2ccc(CO)cc2)c1[N+](=O)[O-]
InChIInChI=1S/C11H11N5O4/c12-15-10-9(16(18)19)11(14-6-13-10)20-8-3-1-7(5-17)2-4-8/h1-4,6,17H,5,12H2,(H,13,14,15)
InChIKeyFPSQQCJVEIWQQR-UHFFFAOYSA-N
XLogP0.95
TPSA136.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 50.95
H-Bond Donors ≤ 53
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

2-(6-hydrazinyl-5-nitropyrimidin-4-yl)oxyethanol
CID 80912433
[6-(2,4-dibromophenoxy)-5-nitropyrimidin-4-yl]hydrazine
CID 80921308
N-butyl-6-(4-ethylphenoxy)-5-nitropyrimidin-4-amine
CID 23486847
[6-(2-iodophenoxy)-5-nitropyrimidin-4-yl]hydrazine
CID 80920818
6-(4-chlorophenoxy)-N-methyl-5-nitropyrimidin-4-amine
CID 2822070
N-ethyl-6-(4-fluorophenoxy)-5-nitropyrimidin-4-amine
CID 80869488
6-(4-chlorophenoxy)-N-ethyl-5-nitropyrimidin-4-amine
CID 80864774
N-[(4-chlorophenyl)methyl]-6-(4-methylphenoxy)-5-nitropyrimidin-4-amine
CID 22534922
dimethyl 5-[[6-(4-ethylphenoxy)-5-nitropyrimidin-4-yl]amino]benzene-1,3-dicarboxylate
CID 23486436
N'-[6-(4-ethylphenoxy)-5-nitropyrimidin-4-yl]-4-methoxybenzohydrazide
CID 22536525
[6-[(3-methoxyphenyl)methoxy]-5-nitropyrimidin-4-yl]hydrazine
CID 80906474
[6-(4-chloro-2-methylphenoxy)-5-nitropyrimidin-4-yl]hydrazine
CID 80917047

Frequently Asked Questions

What is the IUPAC name of [4-(6-hydrazinyl-5-nitropyrimidin-4-yl)oxyphenyl]methanol?
The IUPAC name of [4-(6-hydrazinyl-5-nitropyrimidin-4-yl)oxyphenyl]methanol (CID 80920876) is [4-(6-hydrazinyl-5-nitropyrimidin-4-yl)oxyphenyl]methanol.
What is the SMILES notation for [4-(6-hydrazinyl-5-nitropyrimidin-4-yl)oxyphenyl]methanol?
The canonical SMILES for [4-(6-hydrazinyl-5-nitropyrimidin-4-yl)oxyphenyl]methanol is NNc1ncnc(Oc2ccc(CO)cc2)c1[N+](=O)[O-].
What is the InChIKey of [4-(6-hydrazinyl-5-nitropyrimidin-4-yl)oxyphenyl]methanol?
The InChIKey is FPSQQCJVEIWQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O4/c12-15-10-9(16(18)19)11(14-6-13-10)20-8-3-1-7(5-17)2-4-8/h1-4,6,17H,5,12H2,(H,13,14,15).
What are the key properties of [4-(6-hydrazinyl-5-nitropyrimidin-4-yl)oxyphenyl]methanol?
[4-(6-hydrazinyl-5-nitropyrimidin-4-yl)oxyphenyl]methanol has a molecular weight of 277.24 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-hydrazinyl-5-nitropyrimidin-4-yl)oxyphenyl]methanol is sourced from PubChem (CID 80920876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).