2-(6-hydrazinyl-5-nitropyrimidin-4-yl)oxyethanol

C6H9N5O4 — CID 80912433

IUPAC2-(6-hydrazinyl-5-nitropyrimidin-4-yl)oxyethanol
SMILESNNc1ncnc(OCCO)c1[N+](=O)[O-]
InChIInChI=1S/C6H9N5O4/c7-10-5-4(11(13)14)6(9-3-8-5)15-2-1-12/h3,12H,1-2,7H2,(H,8,9,10)
InChIKeyLIDIJPRGTOEBBR-UHFFFAOYSA-N
MW215.17 g/mol
LogP-0.96
Rot. Bonds5

About 2-(6-hydrazinyl-5-nitropyrimidin-4-yl)oxyethanol

2-(6-hydrazinyl-5-nitropyrimidin-4-yl)oxyethanol (PubChem CID 80912433) has the molecular formula C6H9N5O4 and a molecular weight of 215.17 g/mol. Its IUPAC name is 2-(6-hydrazinyl-5-nitropyrimidin-4-yl)oxyethanol.

Molecular Properties

Compound Name2-(6-hydrazinyl-5-nitropyrimidin-4-yl)oxyethanol
PubChem CID80912433
Molecular FormulaC6H9N5O4
Molecular Weight215.17 g/mol
Exact Mass215.07
IUPAC Name2-(6-hydrazinyl-5-nitropyrimidin-4-yl)oxyethanol
SMILESNNc1ncnc(OCCO)c1[N+](=O)[O-]
InChIInChI=1S/C6H9N5O4/c7-10-5-4(11(13)14)6(9-3-8-5)15-2-1-12/h3,12H,1-2,7H2,(H,8,9,10)
InChIKeyLIDIJPRGTOEBBR-UHFFFAOYSA-N
XLogP-0.96
TPSA136.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 5-0.96
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

[5-nitro-6-(3,3,3-trifluoropropoxy)pyrimidin-4-yl]hydrazine
CID 82957059
[4-(6-hydrazinyl-5-nitropyrimidin-4-yl)oxyphenyl]methanol
CID 80920876
[6-(1-methoxypropan-2-yloxy)-5-nitropyrimidin-4-yl]hydrazine
CID 80925033
3-(6-hydrazinyl-5-nitropyrimidin-4-yl)sulfanylbutan-1-ol
CID 80927305
2-[1-(6-hydrazinyl-5-nitropyrimidin-4-yl)piperidin-4-yl]oxyethanol
CID 82688318
6-(2-methoxyethoxy)-N-methyl-5-nitropyrimidin-4-amine
CID 80860362
2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)-methylamino]ethanol
CID 80943199
5-nitro-6-propoxy-N-propylpyrimidin-4-amine
CID 80866918
[6-[(3-methoxyphenyl)methoxy]-5-nitropyrimidin-4-yl]hydrazine
CID 80906474
[6-(2-iodophenoxy)-5-nitropyrimidin-4-yl]hydrazine
CID 80920818
N-methyl-6-(3-methylbutoxy)-5-nitropyrimidin-4-amine
CID 80858601
6-heptoxy-N-methyl-5-nitropyrimidin-4-amine
CID 80861777

Frequently Asked Questions

What is the IUPAC name of 2-(6-hydrazinyl-5-nitropyrimidin-4-yl)oxyethanol?
The IUPAC name of 2-(6-hydrazinyl-5-nitropyrimidin-4-yl)oxyethanol (CID 80912433) is 2-(6-hydrazinyl-5-nitropyrimidin-4-yl)oxyethanol.
What is the SMILES notation for 2-(6-hydrazinyl-5-nitropyrimidin-4-yl)oxyethanol?
The canonical SMILES for 2-(6-hydrazinyl-5-nitropyrimidin-4-yl)oxyethanol is NNc1ncnc(OCCO)c1[N+](=O)[O-].
What is the InChIKey of 2-(6-hydrazinyl-5-nitropyrimidin-4-yl)oxyethanol?
The InChIKey is LIDIJPRGTOEBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O4/c7-10-5-4(11(13)14)6(9-3-8-5)15-2-1-12/h3,12H,1-2,7H2,(H,8,9,10).
What are the key properties of 2-(6-hydrazinyl-5-nitropyrimidin-4-yl)oxyethanol?
2-(6-hydrazinyl-5-nitropyrimidin-4-yl)oxyethanol has a molecular weight of 215.17 g/mol, XLogP of -0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydrazinyl-5-nitropyrimidin-4-yl)oxyethanol is sourced from PubChem (CID 80912433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).