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

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Related Compounds

4-[4-(Trifluoromethyl)pyrimidin-2-yl]butanoic acid
CID 68841637
Ethyl 4-[4-(trifluoromethyl)pyrimidin-2-yl]butanoate
CID 68846459
[2-[1-(4-Methylpyrimidin-2-yl)piperidin-4-yl]acetyl] 2,2,2-trifluoroacetate
CID 140543300
Methyl 3-[4-(trifluoromethyl)pyrimidin-2-yl]bicyclo[1.1.1]pentane-1-carboxylate
CID 150331889
cis-ethyl (1R,2R)-1-fluoro-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate
CID 165132089
trans-tert-butyl (1S,2S)-2-[4-(trifluoromethyl)pyrimidin-2-yl]cyclopropane-1-carboxylate
CID 165132928
trans-ethyl (1S,2S)-2-[4-(difluoromethyl)pyrimidin-2-yl]cyclopropane-1-carboxylate
CID 167228427
trans-(1S,2S)-2-[4-(difluoromethyl)pyrimidin-2-yl]cyclopropane-1-carboxylic acid
CID 167228430
trans-(1S,2S)-2-[4-(trifluoromethyl)pyrimidin-2-yl]cyclopropane-1-carboxylic acid
CID 167228658
trans-ethyl (1S,2S)-2-(5-fluoro-4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate
CID 167228765
trans-ethyl (1S,2S)-2-[4-(fluoromethyl)pyrimidin-2-yl]cyclopropane-1-carboxylate
CID 167228818
trans-methyl (1S,3S)-2,2-difluoro-3-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxylate
CID 170693916

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).