4-[(Z)-2-ethoxyethenyl]-6-methoxy-5-nitropyrimidine

C9H11N3O4 — CID 10421209

IUPAC4-[(Z)-2-ethoxyethenyl]-6-methoxy-5-nitropyrimidine
SMILESCCO/C=C\c1ncnc(OC)c1[N+](=O)[O-]
InChIInChI=1S/C9H11N3O4/c1-3-16-5-4-7-8(12(13)14)9(15-2)11-6-10-7/h4-6H,3H2,1-2H3/b5-4-
InChIKeyLTXXJCQMGLUOBO-PLNGDYQASA-N
MW225.20 g/mol
LogP1.40
Rot. Bonds5

About 4-[(Z)-2-ethoxyethenyl]-6-methoxy-5-nitropyrimidine

4-[(Z)-2-ethoxyethenyl]-6-methoxy-5-nitropyrimidine (PubChem CID 10421209) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is 4-[(Z)-2-ethoxyethenyl]-6-methoxy-5-nitropyrimidine.

Molecular Properties

Compound Name4-[(Z)-2-ethoxyethenyl]-6-methoxy-5-nitropyrimidine
PubChem CID10421209
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name4-[(Z)-2-ethoxyethenyl]-6-methoxy-5-nitropyrimidine
SMILESCCO/C=C\c1ncnc(OC)c1[N+](=O)[O-]
InChIInChI=1S/C9H11N3O4/c1-3-16-5-4-7-8(12(13)14)9(15-2)11-6-10-7/h4-6H,3H2,1-2H3/b5-4-
InChIKeyLTXXJCQMGLUOBO-PLNGDYQASA-N
XLogP1.40
TPSA87.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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-[(Z)-2-ethoxyethenyl]-6-methoxy-5-nitropyrimidine?
The IUPAC name of 4-[(Z)-2-ethoxyethenyl]-6-methoxy-5-nitropyrimidine (CID 10421209) is 4-[(Z)-2-ethoxyethenyl]-6-methoxy-5-nitropyrimidine.
What is the SMILES notation for 4-[(Z)-2-ethoxyethenyl]-6-methoxy-5-nitropyrimidine?
The canonical SMILES for 4-[(Z)-2-ethoxyethenyl]-6-methoxy-5-nitropyrimidine is CCO/C=C\c1ncnc(OC)c1[N+](=O)[O-].
What is the InChIKey of 4-[(Z)-2-ethoxyethenyl]-6-methoxy-5-nitropyrimidine?
The InChIKey is LTXXJCQMGLUOBO-PLNGDYQASA-N. The full InChI is InChI=1S/C9H11N3O4/c1-3-16-5-4-7-8(12(13)14)9(15-2)11-6-10-7/h4-6H,3H2,1-2H3/b5-4-.
What are the key properties of 4-[(Z)-2-ethoxyethenyl]-6-methoxy-5-nitropyrimidine?
4-[(Z)-2-ethoxyethenyl]-6-methoxy-5-nitropyrimidine has a molecular weight of 225.20 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-ethoxyethenyl]-6-methoxy-5-nitropyrimidine is sourced from PubChem (CID 10421209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).