3-(2,4-diethoxypyrimidin-5-yl)propanoic acid

C11H16N2O4 — CID 68741114

IUPAC3-(2,4-diethoxypyrimidin-5-yl)propanoic acid
SMILESCCOc1ncc(CCC(=O)O)c(OCC)n1
InChIInChI=1S/C11H16N2O4/c1-3-16-10-8(5-6-9(14)15)7-12-11(13-10)17-4-2/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeySLHKZTDKEXLBKG-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.29
Rot. Bonds7

About 3-(2,4-diethoxypyrimidin-5-yl)propanoic acid

3-(2,4-diethoxypyrimidin-5-yl)propanoic acid (PubChem CID 68741114) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-(2,4-diethoxypyrimidin-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(2,4-diethoxypyrimidin-5-yl)propanoic acid
PubChem CID68741114
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name3-(2,4-diethoxypyrimidin-5-yl)propanoic acid
SMILESCCOc1ncc(CCC(=O)O)c(OCC)n1
InChIInChI=1S/C11H16N2O4/c1-3-16-10-8(5-6-9(14)15)7-12-11(13-10)17-4-2/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeySLHKZTDKEXLBKG-UHFFFAOYSA-N
XLogP1.29
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2,4-diethoxypyrimidin-5-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,4-Dimethoxypyrimidin-5-yl)propan-1-ol
CID 124706387
3-[4-Methoxy-2-(trifluoromethyl)pyrimidin-5-yl]propanoic acid
CID 83825394
3-(2,4-Dimethoxypyrimidin-5-yl)propyl acetate
CID 125494010
4-(2,4-Dimethoxypyrimidin-5-yl)butan-2-one
CID 15716996
2-(5-Butylpyrimidin-4-yl)oxyethanol
CID 58242254
Methyl 3-(2,4-dimethoxypyrimidin-5-yl)propanoate
CID 68844979
5H-Pyrano[2,3-d]pyrimidin-7(6H)-one
CID 85857861
Methyl 3-(5-cyclopropylpyrimidin-4-yl)oxy-2,2-dimethylpropanoate
CID 146402047
3-(5-Cyclopropylpyrimidin-4-yl)oxy-2,2-dimethylpropanoic acid
CID 146402103
3-(2,4-Dimethoxypyrimidin-5-yl)propanal
CID 156474776
tert-butyl N-[4-methoxy-5-(3-oxopropyl)pyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 164907999
Ethyl 2-amino-4-methoxy-5-pyrimidinepropanoate
CID 164908000

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-diethoxypyrimidin-5-yl)propanoic acid?
The IUPAC name of 3-(2,4-diethoxypyrimidin-5-yl)propanoic acid (CID 68741114) is 3-(2,4-diethoxypyrimidin-5-yl)propanoic acid.
What is the SMILES notation for 3-(2,4-diethoxypyrimidin-5-yl)propanoic acid?
The canonical SMILES for 3-(2,4-diethoxypyrimidin-5-yl)propanoic acid is CCOc1ncc(CCC(=O)O)c(OCC)n1.
What is the InChIKey of 3-(2,4-diethoxypyrimidin-5-yl)propanoic acid?
The InChIKey is SLHKZTDKEXLBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-3-16-10-8(5-6-9(14)15)7-12-11(13-10)17-4-2/h7H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 3-(2,4-diethoxypyrimidin-5-yl)propanoic acid?
3-(2,4-diethoxypyrimidin-5-yl)propanoic acid has a molecular weight of 240.26 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-diethoxypyrimidin-5-yl)propanoic acid is sourced from PubChem (CID 68741114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).