2-cyclopropyl-6-ethoxypyrimidine-4-carboxylic acid

C10H12N2O3 — CID 83883634

IUPAC2-cyclopropyl-6-ethoxypyrimidine-4-carboxylic acid
SMILESCCOc1cc(C(=O)O)nc(C2CC2)n1
InChIInChI=1S/C10H12N2O3/c1-2-15-8-5-7(10(13)14)11-9(12-8)6-3-4-6/h5-6H,2-4H2,1H3,(H,13,14)
InChIKeyNZUDKTBOSSRRHU-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.45
Rot. Bonds4

About 2-cyclopropyl-6-ethoxypyrimidine-4-carboxylic acid

2-cyclopropyl-6-ethoxypyrimidine-4-carboxylic acid (PubChem CID 83883634) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-cyclopropyl-6-ethoxypyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-6-ethoxypyrimidine-4-carboxylic acid
PubChem CID83883634
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-cyclopropyl-6-ethoxypyrimidine-4-carboxylic acid
SMILESCCOc1cc(C(=O)O)nc(C2CC2)n1
InChIInChI=1S/C10H12N2O3/c1-2-15-8-5-7(10(13)14)11-9(12-8)6-3-4-6/h5-6H,2-4H2,1H3,(H,13,14)
InChIKeyNZUDKTBOSSRRHU-UHFFFAOYSA-N
XLogP1.45
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-6-methoxypyrimidine-4-carboxylic acid
CID 83822786
6-ethoxy-2-ethylpyrimidine-4-carboxylic acid
CID 83879725
2-cyclopropyl-6-propylpyrimidine-4-carboxylic acid
CID 121206900
6-butan-2-yl-2-cyclopropylpyrimidine-4-carboxylic acid
CID 121206911
6-methoxy-2-(1-methylpyrrolidin-3-yl)pyrimidine-4-carboxylic acid
CID 116862342
2-cyclopropyl-6-ethoxy-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 82456429
6-cyclopropyl-2-(methoxymethyl)pyrimidine-4-carboxylic acid
CID 83820399
N-butan-2-yl-2-cyclopropyl-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82456492
2-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-2-yl]acetic acid
CID 115972951
2-ethoxy-6-propoxypyridine-4-carboxylic acid
CID 130427459
2-cyclopropyl-6-propoxypyrimidin-4-amine
CID 80965669
4-amino-6-ethoxy-5-fluoropyridine-2-carboxylic acid
CID 66920938

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-ethoxypyrimidine-4-carboxylic acid?
The IUPAC name of 2-cyclopropyl-6-ethoxypyrimidine-4-carboxylic acid (CID 83883634) is 2-cyclopropyl-6-ethoxypyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-6-ethoxypyrimidine-4-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-6-ethoxypyrimidine-4-carboxylic acid is CCOc1cc(C(=O)O)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-ethoxypyrimidine-4-carboxylic acid?
The InChIKey is NZUDKTBOSSRRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-2-15-8-5-7(10(13)14)11-9(12-8)6-3-4-6/h5-6H,2-4H2,1H3,(H,13,14).
What are the key properties of 2-cyclopropyl-6-ethoxypyrimidine-4-carboxylic acid?
2-cyclopropyl-6-ethoxypyrimidine-4-carboxylic acid has a molecular weight of 208.22 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-ethoxypyrimidine-4-carboxylic acid is sourced from PubChem (CID 83883634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).