2-ethyl-4-propan-2-yloxypyrimidine-5-carboxylic acid

C10H14N2O3 — CID 83884924

IUPAC2-ethyl-4-propan-2-yloxypyrimidine-5-carboxylic acid
SMILESCCc1ncc(C(=O)O)c(OC(C)C)n1
InChIInChI=1S/C10H14N2O3/c1-4-8-11-5-7(10(13)14)9(12-8)15-6(2)3/h5-6H,4H2,1-3H3,(H,13,14)
InChIKeyQTGLJLCTAQLHJB-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.52
Rot. Bonds4

About 2-ethyl-4-propan-2-yloxypyrimidine-5-carboxylic acid

2-ethyl-4-propan-2-yloxypyrimidine-5-carboxylic acid (PubChem CID 83884924) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-ethyl-4-propan-2-yloxypyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-4-propan-2-yloxypyrimidine-5-carboxylic acid
PubChem CID83884924
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-ethyl-4-propan-2-yloxypyrimidine-5-carboxylic acid
SMILESCCc1ncc(C(=O)O)c(OC(C)C)n1
InChIInChI=1S/C10H14N2O3/c1-4-8-11-5-7(10(13)14)9(12-8)15-6(2)3/h5-6H,4H2,1-3H3,(H,13,14)
InChIKeyQTGLJLCTAQLHJB-UHFFFAOYSA-N
XLogP1.52
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-4-propan-2-yloxypyrimidine-5-carboximidamide
CID 83883979
2-ethoxy-6-propan-2-yloxypyridine-3-carboxylic acid
CID 175541249
1-[4-methoxy-2-(2-methylpropyl)pyrimidin-5-yl]ethanone
CID 83883773
2-propan-2-yloxy-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79877639
2-(2-methyl-4-propan-2-yloxypyrimidin-5-yl)acetic acid
CID 83884926
6-ethyl-5-propan-2-yloxypyrazine-2-carboxamide
CID 175913204
2,4-diethylpyrimidine-5-carboxylate
CID 71434686
benzyl 2-ethyl-4-phenoxypyrimidine-5-carboxylate
CID 174195714
2-butyl-4-ethylpyrimidine-5-carboxylic acid
CID 79412123
2-ethyl-6-propan-2-yloxy-7H-purine
CID 123998752
4-ethoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 83896941
2-butan-2-yloxy-6-methylpyridine-3-carboxylic acid
CID 62702093

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-propan-2-yloxypyrimidine-5-carboxylic acid?
The IUPAC name of 2-ethyl-4-propan-2-yloxypyrimidine-5-carboxylic acid (CID 83884924) is 2-ethyl-4-propan-2-yloxypyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-ethyl-4-propan-2-yloxypyrimidine-5-carboxylic acid?
The canonical SMILES for 2-ethyl-4-propan-2-yloxypyrimidine-5-carboxylic acid is CCc1ncc(C(=O)O)c(OC(C)C)n1.
What is the InChIKey of 2-ethyl-4-propan-2-yloxypyrimidine-5-carboxylic acid?
The InChIKey is QTGLJLCTAQLHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-4-8-11-5-7(10(13)14)9(12-8)15-6(2)3/h5-6H,4H2,1-3H3,(H,13,14).
What are the key properties of 2-ethyl-4-propan-2-yloxypyrimidine-5-carboxylic acid?
2-ethyl-4-propan-2-yloxypyrimidine-5-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-propan-2-yloxypyrimidine-5-carboxylic acid is sourced from PubChem (CID 83884924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).