2,6-diethoxypyrimidine-4-carboxylic acid

C9H12N2O4 — CID 82254266

IUPAC2,6-diethoxypyrimidine-4-carboxylic acid
SMILESCCOc1cc(C(=O)O)nc(OCC)n1
InChIInChI=1S/C9H12N2O4/c1-3-14-7-5-6(8(12)13)10-9(11-7)15-4-2/h5H,3-4H2,1-2H3,(H,12,13)
InChIKeyHZIBWJBHOJGXIY-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.97
Rot. Bonds5

About 2,6-diethoxypyrimidine-4-carboxylic acid

2,6-diethoxypyrimidine-4-carboxylic acid (PubChem CID 82254266) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2,6-diethoxypyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2,6-diethoxypyrimidine-4-carboxylic acid
PubChem CID82254266
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name2,6-diethoxypyrimidine-4-carboxylic acid
SMILESCCOc1cc(C(=O)O)nc(OCC)n1
InChIInChI=1S/C9H12N2O4/c1-3-14-7-5-6(8(12)13)10-9(11-7)15-4-2/h5H,3-4H2,1-2H3,(H,12,13)
InChIKeyHZIBWJBHOJGXIY-UHFFFAOYSA-N
XLogP0.97
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-Dimethoxypyrimidine-4-carboxylic acid
CID 2736210
6-methoxypyrimidine-4-carboxylic Acid
CID 3300297
Methyl 2,6-dimethoxypyrimidine-4-carboxylate
CID 330001
6-Methoxy-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyrimidine-4-carboxylic acid
CID 171767601
(4,4-Difluoro-3-methylbut-3-enyl) 6-butoxy-2-methylpyrimidine-4-carboxylate
CID 23020219
6-[(4-Oxocyclohexyl)oxy]-2-(trifluoromethyl)pyrimidine-4-carboxylic acid
CID 71257331
6-(1,4-Dioxaspiro[4.5]dec-8-yloxy)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid
CID 71257503
6-Methoxy-2-(trifluoromethyl)-4-pyrimidinecarboxylic acid
CID 83822724
Methyl 2-chloro-6-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxylate
CID 89115022
Methyl 2-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxylate
CID 153217797
Methyl 6-(difluoromethoxy)pyrimidine-4-carboxylate
CID 161698620
6-(2-Fluoroethoxy)pyrimidine-4-carboxylic acid
CID 166038660

Frequently Asked Questions

What is the IUPAC name of 2,6-diethoxypyrimidine-4-carboxylic acid?
The IUPAC name of 2,6-diethoxypyrimidine-4-carboxylic acid (CID 82254266) is 2,6-diethoxypyrimidine-4-carboxylic acid.
What is the SMILES notation for 2,6-diethoxypyrimidine-4-carboxylic acid?
The canonical SMILES for 2,6-diethoxypyrimidine-4-carboxylic acid is CCOc1cc(C(=O)O)nc(OCC)n1.
What is the InChIKey of 2,6-diethoxypyrimidine-4-carboxylic acid?
The InChIKey is HZIBWJBHOJGXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-3-14-7-5-6(8(12)13)10-9(11-7)15-4-2/h5H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 2,6-diethoxypyrimidine-4-carboxylic acid?
2,6-diethoxypyrimidine-4-carboxylic acid has a molecular weight of 212.20 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethoxypyrimidine-4-carboxylic acid is sourced from PubChem (CID 82254266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).