4,6-dimethoxypyrimidine-5-carboxylic acid

C7H8N2O4 — CID 19070667

IUPAC4,6-dimethoxypyrimidine-5-carboxylic acid
SMILESCOc1ncnc(OC)c1C(=O)O
InChIInChI=1S/C7H8N2O4/c1-12-5-4(7(10)11)6(13-2)9-3-8-5/h3H,1-2H3,(H,10,11)
InChIKeySOUWJIUOLGPWJL-UHFFFAOYSA-N
MW184.15 g/mol
LogP0.19
Rot. Bonds3

About 4,6-dimethoxypyrimidine-5-carboxylic acid

4,6-dimethoxypyrimidine-5-carboxylic acid (PubChem CID 19070667) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 4,6-dimethoxypyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4,6-dimethoxypyrimidine-5-carboxylic acid
PubChem CID19070667
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name4,6-dimethoxypyrimidine-5-carboxylic acid
SMILESCOc1ncnc(OC)c1C(=O)O
InChIInChI=1S/C7H8N2O4/c1-12-5-4(7(10)11)6(13-2)9-3-8-5/h3H,1-2H3,(H,10,11)
InChIKeySOUWJIUOLGPWJL-UHFFFAOYSA-N
XLogP0.19
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxypyrimidine-5-carboxylic acid?
The IUPAC name of 4,6-dimethoxypyrimidine-5-carboxylic acid (CID 19070667) is 4,6-dimethoxypyrimidine-5-carboxylic acid.
What is the SMILES notation for 4,6-dimethoxypyrimidine-5-carboxylic acid?
The canonical SMILES for 4,6-dimethoxypyrimidine-5-carboxylic acid is COc1ncnc(OC)c1C(=O)O.
What is the InChIKey of 4,6-dimethoxypyrimidine-5-carboxylic acid?
The InChIKey is SOUWJIUOLGPWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-12-5-4(7(10)11)6(13-2)9-3-8-5/h3H,1-2H3,(H,10,11).
What are the key properties of 4,6-dimethoxypyrimidine-5-carboxylic acid?
4,6-dimethoxypyrimidine-5-carboxylic acid has a molecular weight of 184.15 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxypyrimidine-5-carboxylic acid is sourced from PubChem (CID 19070667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).