4-methoxy-5-nitropyrimidine

C5H5N3O3 — CID 12553985

IUPAC4-methoxy-5-nitropyrimidine
SMILESCOc1ncncc1[N+](=O)[O-]
InChIInChI=1S/C5H5N3O3/c1-11-5-4(8(9)10)2-6-3-7-5/h2-3H,1H3
InChIKeySIOSJFKPDFZTML-UHFFFAOYSA-N
MW155.11 g/mol
LogP0.39
Rot. Bonds2

About 4-methoxy-5-nitropyrimidine

4-methoxy-5-nitropyrimidine (PubChem CID 12553985) has the molecular formula C5H5N3O3 and a molecular weight of 155.11 g/mol. Its IUPAC name is 4-methoxy-5-nitropyrimidine.

Molecular Properties

Compound Name4-methoxy-5-nitropyrimidine
PubChem CID12553985
Molecular FormulaC5H5N3O3
Molecular Weight155.11 g/mol
Exact Mass155.03
IUPAC Name4-methoxy-5-nitropyrimidine
SMILESCOc1ncncc1[N+](=O)[O-]
InChIInChI=1S/C5H5N3O3/c1-11-5-4(8(9)10)2-6-3-7-5/h2-3H,1H3
InChIKeySIOSJFKPDFZTML-UHFFFAOYSA-N
XLogP0.39
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.11
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-nitropyrimidine?
The IUPAC name of 4-methoxy-5-nitropyrimidine (CID 12553985) is 4-methoxy-5-nitropyrimidine.
What is the SMILES notation for 4-methoxy-5-nitropyrimidine?
The canonical SMILES for 4-methoxy-5-nitropyrimidine is COc1ncncc1[N+](=O)[O-].
What is the InChIKey of 4-methoxy-5-nitropyrimidine?
The InChIKey is SIOSJFKPDFZTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O3/c1-11-5-4(8(9)10)2-6-3-7-5/h2-3H,1H3.
What are the key properties of 4-methoxy-5-nitropyrimidine?
4-methoxy-5-nitropyrimidine has a molecular weight of 155.11 g/mol, XLogP of 0.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-nitropyrimidine is sourced from PubChem (CID 12553985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).