2-bromo-4-cyclopropyloxy-5-nitropyrimidine

C7H6BrN3O3 — CID 133060115

IUPAC2-bromo-4-cyclopropyloxy-5-nitropyrimidine
SMILESO=[N+]([O-])c1cnc(Br)nc1OC1CC1
InChIInChI=1S/C7H6BrN3O3/c8-7-9-3-5(11(12)13)6(10-7)14-4-1-2-4/h3-4H,1-2H2
InChIKeyVUWQKLLJBDWWJF-UHFFFAOYSA-N
MW260.05 g/mol
LogP1.69
Rot. Bonds3

About 2-bromo-4-cyclopropyloxy-5-nitropyrimidine

2-bromo-4-cyclopropyloxy-5-nitropyrimidine (PubChem CID 133060115) has the molecular formula C7H6BrN3O3 and a molecular weight of 260.05 g/mol. Its IUPAC name is 2-bromo-4-cyclopropyloxy-5-nitropyrimidine.

Molecular Properties

Compound Name2-bromo-4-cyclopropyloxy-5-nitropyrimidine
PubChem CID133060115
Molecular FormulaC7H6BrN3O3
Molecular Weight260.05 g/mol
Exact Mass258.96
IUPAC Name2-bromo-4-cyclopropyloxy-5-nitropyrimidine
SMILESO=[N+]([O-])c1cnc(Br)nc1OC1CC1
InChIInChI=1S/C7H6BrN3O3/c8-7-9-3-5(11(12)13)6(10-7)14-4-1-2-4/h3-4H,1-2H2
InChIKeyVUWQKLLJBDWWJF-UHFFFAOYSA-N
XLogP1.69
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.05
LogP ≤ 51.69
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 2-bromo-4-cyclopropyloxy-5-nitropyrimidine?
The IUPAC name of 2-bromo-4-cyclopropyloxy-5-nitropyrimidine (CID 133060115) is 2-bromo-4-cyclopropyloxy-5-nitropyrimidine.
What is the SMILES notation for 2-bromo-4-cyclopropyloxy-5-nitropyrimidine?
The canonical SMILES for 2-bromo-4-cyclopropyloxy-5-nitropyrimidine is O=[N+]([O-])c1cnc(Br)nc1OC1CC1.
What is the InChIKey of 2-bromo-4-cyclopropyloxy-5-nitropyrimidine?
The InChIKey is VUWQKLLJBDWWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3O3/c8-7-9-3-5(11(12)13)6(10-7)14-4-1-2-4/h3-4H,1-2H2.
What are the key properties of 2-bromo-4-cyclopropyloxy-5-nitropyrimidine?
2-bromo-4-cyclopropyloxy-5-nitropyrimidine has a molecular weight of 260.05 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-cyclopropyloxy-5-nitropyrimidine is sourced from PubChem (CID 133060115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).