5-azido-2,4-dimethoxypyrimidine

C6H7N5O2 — CID 132991782

IUPAC5-azido-2,4-dimethoxypyrimidine
SMILESCOc1ncc(N=[N+]=[N-])c(OC)n1
InChIInChI=1S/C6H7N5O2/c1-12-5-4(10-11-7)3-8-6(9-5)13-2/h3H,1-2H3
InChIKeyXFLSRPXPKKCJHJ-UHFFFAOYSA-N
MW181.16 g/mol
LogP1.44
Rot. Bonds3

About 5-azido-2,4-dimethoxypyrimidine

5-azido-2,4-dimethoxypyrimidine (PubChem CID 132991782) has the molecular formula C6H7N5O2 and a molecular weight of 181.16 g/mol. Its IUPAC name is 5-azido-2,4-dimethoxypyrimidine.

Molecular Properties

Compound Name5-azido-2,4-dimethoxypyrimidine
PubChem CID132991782
Molecular FormulaC6H7N5O2
Molecular Weight181.16 g/mol
Exact Mass181.06
IUPAC Name5-azido-2,4-dimethoxypyrimidine
SMILESCOc1ncc(N=[N+]=[N-])c(OC)n1
InChIInChI=1S/C6H7N5O2/c1-12-5-4(10-11-7)3-8-6(9-5)13-2/h3H,1-2H3
InChIKeyXFLSRPXPKKCJHJ-UHFFFAOYSA-N
XLogP1.44
TPSA93.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-azido-2,4-dimethoxypyrimidine?
The IUPAC name of 5-azido-2,4-dimethoxypyrimidine (CID 132991782) is 5-azido-2,4-dimethoxypyrimidine.
What is the SMILES notation for 5-azido-2,4-dimethoxypyrimidine?
The canonical SMILES for 5-azido-2,4-dimethoxypyrimidine is COc1ncc(N=[N+]=[N-])c(OC)n1.
What is the InChIKey of 5-azido-2,4-dimethoxypyrimidine?
The InChIKey is XFLSRPXPKKCJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O2/c1-12-5-4(10-11-7)3-8-6(9-5)13-2/h3H,1-2H3.
What are the key properties of 5-azido-2,4-dimethoxypyrimidine?
5-azido-2,4-dimethoxypyrimidine has a molecular weight of 181.16 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azido-2,4-dimethoxypyrimidine is sourced from PubChem (CID 132991782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).