6-methoxypyrimidine-4-carboxylic acid

C6H6N2O3 — CID 3300297

IUPAC6-methoxypyrimidine-4-carboxylic acid
SMILESCOc1cc(C(=O)O)ncn1
InChIInChI=1S/C6H6N2O3/c1-11-5-2-4(6(9)10)7-3-8-5/h2-3H,1H3,(H,9,10)
InChIKeyGOLLRPFWZLSHBL-UHFFFAOYSA-N
MW154.12 g/mol
LogP0.18
Rot. Bonds2

About 6-methoxypyrimidine-4-carboxylic acid

6-methoxypyrimidine-4-carboxylic acid (PubChem CID 3300297) has the molecular formula C6H6N2O3 and a molecular weight of 154.12 g/mol. Its IUPAC name is 6-methoxypyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-methoxypyrimidine-4-carboxylic acid
PubChem CID3300297
Molecular FormulaC6H6N2O3
Molecular Weight154.12 g/mol
Exact Mass154.04
IUPAC Name6-methoxypyrimidine-4-carboxylic acid
SMILESCOc1cc(C(=O)O)ncn1
InChIInChI=1S/C6H6N2O3/c1-11-5-2-4(6(9)10)7-3-8-5/h2-3H,1H3,(H,9,10)
InChIKeyGOLLRPFWZLSHBL-UHFFFAOYSA-N
XLogP0.18
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxypyrimidine-4-carboxylic acid?
The IUPAC name of 6-methoxypyrimidine-4-carboxylic acid (CID 3300297) is 6-methoxypyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-methoxypyrimidine-4-carboxylic acid?
The canonical SMILES for 6-methoxypyrimidine-4-carboxylic acid is COc1cc(C(=O)O)ncn1.
What is the InChIKey of 6-methoxypyrimidine-4-carboxylic acid?
The InChIKey is GOLLRPFWZLSHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3/c1-11-5-2-4(6(9)10)7-3-8-5/h2-3H,1H3,(H,9,10).
What are the key properties of 6-methoxypyrimidine-4-carboxylic acid?
6-methoxypyrimidine-4-carboxylic acid has a molecular weight of 154.12 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxypyrimidine-4-carboxylic acid is sourced from PubChem (CID 3300297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).