6-ethoxy-2-ethylpyrimidine-4-carboxylic acid

C9H12N2O3 — CID 83879725

IUPAC6-ethoxy-2-ethylpyrimidine-4-carboxylic acid
SMILESCCOc1cc(C(=O)O)nc(CC)n1
InChIInChI=1S/C9H12N2O3/c1-3-7-10-6(9(12)13)5-8(11-7)14-4-2/h5H,3-4H2,1-2H3,(H,12,13)
InChIKeyCSZFOTOJWVMBFP-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.14
Rot. Bonds4

About 6-ethoxy-2-ethylpyrimidine-4-carboxylic acid

6-ethoxy-2-ethylpyrimidine-4-carboxylic acid (PubChem CID 83879725) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 6-ethoxy-2-ethylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-ethoxy-2-ethylpyrimidine-4-carboxylic acid
PubChem CID83879725
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name6-ethoxy-2-ethylpyrimidine-4-carboxylic acid
SMILESCCOc1cc(C(=O)O)nc(CC)n1
InChIInChI=1S/C9H12N2O3/c1-3-7-10-6(9(12)13)5-8(11-7)14-4-2/h5H,3-4H2,1-2H3,(H,12,13)
InChIKeyCSZFOTOJWVMBFP-UHFFFAOYSA-N
XLogP1.14
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-diethylpyrimidine-4-carboxylic acid
CID 83816909
2-cyclopropyl-6-ethoxypyrimidine-4-carboxylic acid
CID 83883634
2-ethoxy-6-ethylpyrimidine-4-carboxylic acid
CID 66933435
2-ethyl-6-(ethylamino)pyrimidine-4-carboxylic acid
CID 82169792
2-ethoxy-6-propoxypyridine-4-carboxylic acid
CID 130427459
2-(6-ethoxy-2-ethylpyrimidin-4-yl)propan-1-amine
CID 83884584
ethane;4-ethoxy-2-ethyl-6-methylpyrimidine;propane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173416409
6-anilino-2-ethylpyrimidine-4-carboxylic acid
CID 82293665
4-ethoxy-6-methoxycarbonylpyridine-2-carboxylic acid
CID 23292064
6-(3-chloro-4-methoxyphenyl)-2-ethylpyrimidine-4-carboxylic acid
CID 163905465
4-amino-6-ethoxy-5-fluoropyridine-2-carboxylic acid
CID 66920938
5-ethoxy-1,2-thiazole-3-carboxylic acid
CID 83619674

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-ethylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-ethoxy-2-ethylpyrimidine-4-carboxylic acid (CID 83879725) is 6-ethoxy-2-ethylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-ethoxy-2-ethylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-ethoxy-2-ethylpyrimidine-4-carboxylic acid is CCOc1cc(C(=O)O)nc(CC)n1.
What is the InChIKey of 6-ethoxy-2-ethylpyrimidine-4-carboxylic acid?
The InChIKey is CSZFOTOJWVMBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-3-7-10-6(9(12)13)5-8(11-7)14-4-2/h5H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 6-ethoxy-2-ethylpyrimidine-4-carboxylic acid?
6-ethoxy-2-ethylpyrimidine-4-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-ethylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 83879725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).