ethyl 2-(4-chloro-2-methylpyrimidin-5-yl)acetate

C9H11ClN2O2 — CID 26604

IUPACethyl 2-(4-chloro-2-methylpyrimidin-5-yl)acetate
SMILESCCOC(=O)Cc1cnc(C)nc1Cl
InChIInChI=1S/C9H11ClN2O2/c1-3-14-8(13)4-7-5-11-6(2)12-9(7)10/h5H,3-4H2,1-2H3
InChIKeyUXHQKBUDSNPVJV-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.54
Rot. Bonds3

About ethyl 2-(4-chloro-2-methylpyrimidin-5-yl)acetate

ethyl 2-(4-chloro-2-methylpyrimidin-5-yl)acetate (PubChem CID 26604) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is ethyl 2-(4-chloro-2-methylpyrimidin-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-chloro-2-methylpyrimidin-5-yl)acetate
PubChem CID26604
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Nameethyl 2-(4-chloro-2-methylpyrimidin-5-yl)acetate
SMILESCCOC(=O)Cc1cnc(C)nc1Cl
InChIInChI=1S/C9H11ClN2O2/c1-3-14-8(13)4-7-5-11-6(2)12-9(7)10/h5H,3-4H2,1-2H3
InChIKeyUXHQKBUDSNPVJV-UHFFFAOYSA-N
XLogP1.54
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(4-chloro-2-methylpyrimidin-5-yl)propanoate
CID 86147549
ethyl 2-[4,5-dichloro-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134676981
ethyl 2-[6-chloro-5-(difluoromethyl)-4-methyl-3-pyridinyl]acetate
CID 134672130
ethyl 2-[5-amino-6-chloro-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134669265
ethyl 2-(6-chloropyrazin-2-yl)acetate
CID 52987963
ethyl 2-(5-hydroxy-4,6-dimethyl-3-pyridinyl)acetate
CID 129116376
ethyl 2-(6-chloro-4-cyano-3-pyridinyl)acetate
CID 133097864
ethyl 2-(4-bromo-6-fluoro-3-pyridinyl)acetate
CID 133098174
ethyl 2-[5-(bromomethyl)-6-chloro-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134672291
ethyl 2-[5-(aminomethyl)-4-chloro-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134684866
ethyl 2-[2-chloro-5-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134674403
ethyl 2-[4-bromo-5-chloro-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134674682

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chloro-2-methylpyrimidin-5-yl)acetate?
The IUPAC name of ethyl 2-(4-chloro-2-methylpyrimidin-5-yl)acetate (CID 26604) is ethyl 2-(4-chloro-2-methylpyrimidin-5-yl)acetate.
What is the SMILES notation for ethyl 2-(4-chloro-2-methylpyrimidin-5-yl)acetate?
The canonical SMILES for ethyl 2-(4-chloro-2-methylpyrimidin-5-yl)acetate is CCOC(=O)Cc1cnc(C)nc1Cl.
What is the InChIKey of ethyl 2-(4-chloro-2-methylpyrimidin-5-yl)acetate?
The InChIKey is UXHQKBUDSNPVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-3-14-8(13)4-7-5-11-6(2)12-9(7)10/h5H,3-4H2,1-2H3.
What are the key properties of ethyl 2-(4-chloro-2-methylpyrimidin-5-yl)acetate?
ethyl 2-(4-chloro-2-methylpyrimidin-5-yl)acetate has a molecular weight of 214.65 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chloro-2-methylpyrimidin-5-yl)acetate is sourced from PubChem (CID 26604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).