4-methoxy-6-methylpyrimidine-5-carboxylic acid

C7H8N2O3 — CID 82413435

IUPAC4-methoxy-6-methylpyrimidine-5-carboxylic acid
SMILESCOc1ncnc(C)c1C(=O)O
InChIInChI=1S/C7H8N2O3/c1-4-5(7(10)11)6(12-2)9-3-8-4/h3H,1-2H3,(H,10,11)
InChIKeyILJVSIMCNNJQKP-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.49
Rot. Bonds2

About 4-methoxy-6-methylpyrimidine-5-carboxylic acid

4-methoxy-6-methylpyrimidine-5-carboxylic acid (PubChem CID 82413435) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 4-methoxy-6-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-6-methylpyrimidine-5-carboxylic acid
PubChem CID82413435
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name4-methoxy-6-methylpyrimidine-5-carboxylic acid
SMILESCOc1ncnc(C)c1C(=O)O
InChIInChI=1S/C7H8N2O3/c1-4-5(7(10)11)6(12-2)9-3-8-4/h3H,1-2H3,(H,10,11)
InChIKeyILJVSIMCNNJQKP-UHFFFAOYSA-N
XLogP0.49
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-methoxy-6-methylpyrimidine-5-carboxylic acid (CID 82413435) is 4-methoxy-6-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-methoxy-6-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-methoxy-6-methylpyrimidine-5-carboxylic acid is COc1ncnc(C)c1C(=O)O.
What is the InChIKey of 4-methoxy-6-methylpyrimidine-5-carboxylic acid?
The InChIKey is ILJVSIMCNNJQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-4-5(7(10)11)6(12-2)9-3-8-4/h3H,1-2H3,(H,10,11).
What are the key properties of 4-methoxy-6-methylpyrimidine-5-carboxylic acid?
4-methoxy-6-methylpyrimidine-5-carboxylic acid has a molecular weight of 168.15 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 82413435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).