ethyl (1S)-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate

C11H14N2O2 — CID 171735423

IUPACethyl (1S)-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@H]1CC1c1nccc(C)n1
InChIInChI=1S/C11H14N2O2/c1-3-15-11(14)9-6-8(9)10-12-5-4-7(2)13-10/h4-5,8-9H,3,6H2,1-2H3/t8?,9-/m0/s1
InChIKeyCRVRQBTXJVWPCC-GKAPJAKFSA-N
MW206.24 g/mol
LogP1.45
Rot. Bonds3

About ethyl (1S)-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate

ethyl (1S)-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate (PubChem CID 171735423) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is ethyl (1S)-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl (1S)-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate
PubChem CID171735423
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Nameethyl (1S)-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@H]1CC1c1nccc(C)n1
InChIInChI=1S/C11H14N2O2/c1-3-15-11(14)9-6-8(9)10-12-5-4-7(2)13-10/h4-5,8-9H,3,6H2,1-2H3/t8?,9-/m0/s1
InChIKeyCRVRQBTXJVWPCC-GKAPJAKFSA-N
XLogP1.45
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl (1S)-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (1S)-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl (1S)-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate (CID 171735423) is ethyl (1S)-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl (1S)-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl (1S)-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate is CCOC(=O)[C@H]1CC1c1nccc(C)n1.
What is the InChIKey of ethyl (1S)-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate?
The InChIKey is CRVRQBTXJVWPCC-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-3-15-11(14)9-6-8(9)10-12-5-4-7(2)13-10/h4-5,8-9H,3,6H2,1-2H3/t8?,9-/m0/s1.
What are the key properties of ethyl (1S)-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate?
ethyl (1S)-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate has a molecular weight of 206.24 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1S)-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 171735423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).