2,6-dimethoxypyrimidine-4-carboxylic acid;hydrochloride

C7H9ClN2O4 — CID 70583126

IUPAC2,6-dimethoxypyrimidine-4-carboxylic acid;hydrochloride
SMILESCOc1cc(C(=O)O)nc(OC)n1.Cl
InChIInChI=1S/C7H8N2O4.ClH/c1-12-5-3-4(6(10)11)8-7(9-5)13-2;/h3H,1-2H3,(H,10,11);1H
InChIKeyWCCJWEBDQFAHRA-UHFFFAOYSA-N
MW220.61 g/mol
LogP0.61
Rot. Bonds3

About 2,6-dimethoxypyrimidine-4-carboxylic acid;hydrochloride

2,6-dimethoxypyrimidine-4-carboxylic acid;hydrochloride (PubChem CID 70583126) has the molecular formula C7H9ClN2O4 and a molecular weight of 220.61 g/mol. Its IUPAC name is 2,6-dimethoxypyrimidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2,6-dimethoxypyrimidine-4-carboxylic acid;hydrochloride
PubChem CID70583126
Molecular FormulaC7H9ClN2O4
Molecular Weight220.61 g/mol
Exact Mass220.03
IUPAC Name2,6-dimethoxypyrimidine-4-carboxylic acid;hydrochloride
SMILESCOc1cc(C(=O)O)nc(OC)n1.Cl
InChIInChI=1S/C7H8N2O4.ClH/c1-12-5-3-4(6(10)11)8-7(9-5)13-2;/h3H,1-2H3,(H,10,11);1H
InChIKeyWCCJWEBDQFAHRA-UHFFFAOYSA-N
XLogP0.61
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.61
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxypyrimidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 2,6-dimethoxypyrimidine-4-carboxylic acid;hydrochloride (CID 70583126) is 2,6-dimethoxypyrimidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 2,6-dimethoxypyrimidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 2,6-dimethoxypyrimidine-4-carboxylic acid;hydrochloride is COc1cc(C(=O)O)nc(OC)n1.Cl.
What is the InChIKey of 2,6-dimethoxypyrimidine-4-carboxylic acid;hydrochloride?
The InChIKey is WCCJWEBDQFAHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4.ClH/c1-12-5-3-4(6(10)11)8-7(9-5)13-2;/h3H,1-2H3,(H,10,11);1H.
What are the key properties of 2,6-dimethoxypyrimidine-4-carboxylic acid;hydrochloride?
2,6-dimethoxypyrimidine-4-carboxylic acid;hydrochloride has a molecular weight of 220.61 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxypyrimidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 70583126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).