2-(5-chloro-2-methoxypyrimidin-4-yl)propanoate

C8H8ClN2O3- — CID 166585585

IUPAC2-(5-chloro-2-methoxypyrimidin-4-yl)propanoate
SMILESCOc1ncc(Cl)c(C(C)C(=O)[O-])n1
InChIInChI=1S/C8H9ClN2O3/c1-4(7(12)13)6-5(9)3-10-8(11-6)14-2/h3-4H,1-2H3,(H,12,13)/p-1
InChIKeyMOTKYWCDBKWULS-UHFFFAOYSA-M
MW215.62 g/mol
LogP-0.01
Rot. Bonds3

About 2-(5-chloro-2-methoxypyrimidin-4-yl)propanoate

2-(5-chloro-2-methoxypyrimidin-4-yl)propanoate (PubChem CID 166585585) has the molecular formula C8H8ClN2O3- and a molecular weight of 215.62 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxypyrimidin-4-yl)propanoate.

Molecular Properties

Compound Name2-(5-chloro-2-methoxypyrimidin-4-yl)propanoate
PubChem CID166585585
Molecular FormulaC8H8ClN2O3-
Molecular Weight215.62 g/mol
Exact Mass215.02
IUPAC Name2-(5-chloro-2-methoxypyrimidin-4-yl)propanoate
SMILESCOc1ncc(Cl)c(C(C)C(=O)[O-])n1
InChIInChI=1S/C8H9ClN2O3/c1-4(7(12)13)6-5(9)3-10-8(11-6)14-2/h3-4H,1-2H3,(H,12,13)/p-1
InChIKeyMOTKYWCDBKWULS-UHFFFAOYSA-M
XLogP-0.01
TPSA75.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.62
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(5-chloro-2-methoxypyrimidin-4-yl)propanoate 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

(5-chloro-2-methoxypyrimidin-4-yl) hydrogen carbonate
CID 67791743
3-(5-chloro-2-methoxypyrimidin-4-yl)-N-propylbutan-2-amine
CID 80752686
2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-N-methylpropanamide
CID 80758540
2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-N,3-dimethylbutanamide
CID 133394626
2-(5-chloro-2-methoxypyrimidin-4-yl)-3-(3-fluorophenyl)propanoic acid
CID 104572728
2-[(5-chloro-2-methoxypyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 80753262
2-(5-chloro-2-methoxypyrimidin-4-yl)-1-phenylethanone
CID 80752358
1-(5-chloro-2-methoxypyrimidin-4-yl)piperidine-4-carboxylic acid
CID 80758601
2-[(5-chloro-2-methoxypyrimidin-4-yl)-methylamino]-4-methylpentan-1-ol
CID 136532469
2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]ethanol
CID 80758347
propan-2-yl 2-methoxy-4-methylpyrimidine-5-carboxylate
CID 133059260
2-N-(5-chloro-2-methoxypyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82938019

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxypyrimidin-4-yl)propanoate?
The IUPAC name of 2-(5-chloro-2-methoxypyrimidin-4-yl)propanoate (CID 166585585) is 2-(5-chloro-2-methoxypyrimidin-4-yl)propanoate.
What is the SMILES notation for 2-(5-chloro-2-methoxypyrimidin-4-yl)propanoate?
The canonical SMILES for 2-(5-chloro-2-methoxypyrimidin-4-yl)propanoate is COc1ncc(Cl)c(C(C)C(=O)[O-])n1.
What is the InChIKey of 2-(5-chloro-2-methoxypyrimidin-4-yl)propanoate?
The InChIKey is MOTKYWCDBKWULS-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H9ClN2O3/c1-4(7(12)13)6-5(9)3-10-8(11-6)14-2/h3-4H,1-2H3,(H,12,13)/p-1.
What are the key properties of 2-(5-chloro-2-methoxypyrimidin-4-yl)propanoate?
2-(5-chloro-2-methoxypyrimidin-4-yl)propanoate has a molecular weight of 215.62 g/mol, XLogP of -0.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxypyrimidin-4-yl)propanoate is sourced from PubChem (CID 166585585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).