2,4-dimethoxy-5-nitropyrimidine

C6H7N3O4 — CID 4248726

IUPAC2,4-dimethoxy-5-nitropyrimidine
SMILESCOc1ncc([N+](=O)[O-])c(OC)n1
InChIInChI=1S/C6H7N3O4/c1-12-5-4(9(10)11)3-7-6(8-5)13-2/h3H,1-2H3
InChIKeyVJFZTUFUNIIZOI-UHFFFAOYSA-N
MW185.14 g/mol
LogP0.40
Rot. Bonds3

About 2,4-dimethoxy-5-nitropyrimidine

2,4-dimethoxy-5-nitropyrimidine (PubChem CID 4248726) has the molecular formula C6H7N3O4 and a molecular weight of 185.14 g/mol. Its IUPAC name is 2,4-dimethoxy-5-nitropyrimidine.

Molecular Properties

Compound Name2,4-dimethoxy-5-nitropyrimidine
PubChem CID4248726
Molecular FormulaC6H7N3O4
Molecular Weight185.14 g/mol
Exact Mass185.04
IUPAC Name2,4-dimethoxy-5-nitropyrimidine
SMILESCOc1ncc([N+](=O)[O-])c(OC)n1
InChIInChI=1S/C6H7N3O4/c1-12-5-4(9(10)11)3-7-6(8-5)13-2/h3H,1-2H3
InChIKeyVJFZTUFUNIIZOI-UHFFFAOYSA-N
XLogP0.40
TPSA87.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 2,4-dimethoxy-5-nitropyrimidine?
The IUPAC name of 2,4-dimethoxy-5-nitropyrimidine (CID 4248726) is 2,4-dimethoxy-5-nitropyrimidine.
What is the SMILES notation for 2,4-dimethoxy-5-nitropyrimidine?
The canonical SMILES for 2,4-dimethoxy-5-nitropyrimidine is COc1ncc([N+](=O)[O-])c(OC)n1.
What is the InChIKey of 2,4-dimethoxy-5-nitropyrimidine?
The InChIKey is VJFZTUFUNIIZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O4/c1-12-5-4(9(10)11)3-7-6(8-5)13-2/h3H,1-2H3.
What are the key properties of 2,4-dimethoxy-5-nitropyrimidine?
2,4-dimethoxy-5-nitropyrimidine has a molecular weight of 185.14 g/mol, XLogP of 0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-5-nitropyrimidine is sourced from PubChem (CID 4248726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).