ethyl 2-(2-chloropyrimidin-4-yl)-2-methylpropanoate

C10H13ClN2O2 — CID 88573880

IUPACethyl 2-(2-chloropyrimidin-4-yl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)c1ccnc(Cl)n1
InChIInChI=1S/C10H13ClN2O2/c1-4-15-8(14)10(2,3)7-5-6-12-9(11)13-7/h5-6H,4H2,1-3H3
InChIKeyUUGOZTCOKFCEGK-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.97
Rot. Bonds3

About ethyl 2-(2-chloropyrimidin-4-yl)-2-methylpropanoate

ethyl 2-(2-chloropyrimidin-4-yl)-2-methylpropanoate (PubChem CID 88573880) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is ethyl 2-(2-chloropyrimidin-4-yl)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-(2-chloropyrimidin-4-yl)-2-methylpropanoate
PubChem CID88573880
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Nameethyl 2-(2-chloropyrimidin-4-yl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)c1ccnc(Cl)n1
InChIInChI=1S/C10H13ClN2O2/c1-4-15-8(14)10(2,3)7-5-6-12-9(11)13-7/h5-6H,4H2,1-3H3
InChIKeyUUGOZTCOKFCEGK-UHFFFAOYSA-N
XLogP1.97
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-chloropyrimidin-4-yl)-2-methylpropanoate?
The IUPAC name of ethyl 2-(2-chloropyrimidin-4-yl)-2-methylpropanoate (CID 88573880) is ethyl 2-(2-chloropyrimidin-4-yl)-2-methylpropanoate.
What is the SMILES notation for ethyl 2-(2-chloropyrimidin-4-yl)-2-methylpropanoate?
The canonical SMILES for ethyl 2-(2-chloropyrimidin-4-yl)-2-methylpropanoate is CCOC(=O)C(C)(C)c1ccnc(Cl)n1.
What is the InChIKey of ethyl 2-(2-chloropyrimidin-4-yl)-2-methylpropanoate?
The InChIKey is UUGOZTCOKFCEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-4-15-8(14)10(2,3)7-5-6-12-9(11)13-7/h5-6H,4H2,1-3H3.
What are the key properties of ethyl 2-(2-chloropyrimidin-4-yl)-2-methylpropanoate?
ethyl 2-(2-chloropyrimidin-4-yl)-2-methylpropanoate has a molecular weight of 228.68 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-chloropyrimidin-4-yl)-2-methylpropanoate is sourced from PubChem (CID 88573880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).