2-formyl-5,6-dimethoxypyrimidine-4-carboxylic acid

C8H8N2O5 — CID 91301372

IUPAC2-formyl-5,6-dimethoxypyrimidine-4-carboxylic acid
SMILESCOc1nc(C=O)nc(C(=O)O)c1OC
InChIInChI=1S/C8H8N2O5/c1-14-6-5(8(12)13)9-4(3-11)10-7(6)15-2/h3H,1-2H3,(H,12,13)
InChIKeyLGEGLXRYJGAAST-UHFFFAOYSA-N
MW212.16 g/mol
LogP0.00
Rot. Bonds4

About 2-formyl-5,6-dimethoxypyrimidine-4-carboxylic acid

2-formyl-5,6-dimethoxypyrimidine-4-carboxylic acid (PubChem CID 91301372) has the molecular formula C8H8N2O5 and a molecular weight of 212.16 g/mol. Its IUPAC name is 2-formyl-5,6-dimethoxypyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-formyl-5,6-dimethoxypyrimidine-4-carboxylic acid
PubChem CID91301372
Molecular FormulaC8H8N2O5
Molecular Weight212.16 g/mol
Exact Mass212.04
IUPAC Name2-formyl-5,6-dimethoxypyrimidine-4-carboxylic acid
SMILESCOc1nc(C=O)nc(C(=O)O)c1OC
InChIInChI=1S/C8H8N2O5/c1-14-6-5(8(12)13)9-4(3-11)10-7(6)15-2/h3H,1-2H3,(H,12,13)
InChIKeyLGEGLXRYJGAAST-UHFFFAOYSA-N
XLogP0.00
TPSA98.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-formyl-5,6-dimethoxypyrimidine-4-carboxylic acid?
The IUPAC name of 2-formyl-5,6-dimethoxypyrimidine-4-carboxylic acid (CID 91301372) is 2-formyl-5,6-dimethoxypyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-formyl-5,6-dimethoxypyrimidine-4-carboxylic acid?
The canonical SMILES for 2-formyl-5,6-dimethoxypyrimidine-4-carboxylic acid is COc1nc(C=O)nc(C(=O)O)c1OC.
What is the InChIKey of 2-formyl-5,6-dimethoxypyrimidine-4-carboxylic acid?
The InChIKey is LGEGLXRYJGAAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O5/c1-14-6-5(8(12)13)9-4(3-11)10-7(6)15-2/h3H,1-2H3,(H,12,13).
What are the key properties of 2-formyl-5,6-dimethoxypyrimidine-4-carboxylic acid?
2-formyl-5,6-dimethoxypyrimidine-4-carboxylic acid has a molecular weight of 212.16 g/mol, XLogP of 0.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-5,6-dimethoxypyrimidine-4-carboxylic acid is sourced from PubChem (CID 91301372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).