ethyl 6-chloro-2,5-dimethylpyrimidine-4-carboxylate

C9H11ClN2O2 — CID 50998928

IUPACethyl 6-chloro-2,5-dimethylpyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(C)nc(Cl)c1C
InChIInChI=1S/C9H11ClN2O2/c1-4-14-9(13)7-5(2)8(10)12-6(3)11-7/h4H2,1-3H3
InChIKeyPFJNNQORFKVGNM-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.92
Rot. Bonds2

About ethyl 6-chloro-2,5-dimethylpyrimidine-4-carboxylate

ethyl 6-chloro-2,5-dimethylpyrimidine-4-carboxylate (PubChem CID 50998928) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is ethyl 6-chloro-2,5-dimethylpyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-2,5-dimethylpyrimidine-4-carboxylate
PubChem CID50998928
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Nameethyl 6-chloro-2,5-dimethylpyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(C)nc(Cl)c1C
InChIInChI=1S/C9H11ClN2O2/c1-4-14-9(13)7-5(2)8(10)12-6(3)11-7/h4H2,1-3H3
InChIKeyPFJNNQORFKVGNM-UHFFFAOYSA-N
XLogP1.92
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-2,5-dimethylpyrimidine-4-carboxylate?
The IUPAC name of ethyl 6-chloro-2,5-dimethylpyrimidine-4-carboxylate (CID 50998928) is ethyl 6-chloro-2,5-dimethylpyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 6-chloro-2,5-dimethylpyrimidine-4-carboxylate?
The canonical SMILES for ethyl 6-chloro-2,5-dimethylpyrimidine-4-carboxylate is CCOC(=O)c1nc(C)nc(Cl)c1C.
What is the InChIKey of ethyl 6-chloro-2,5-dimethylpyrimidine-4-carboxylate?
The InChIKey is PFJNNQORFKVGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-4-14-9(13)7-5(2)8(10)12-6(3)11-7/h4H2,1-3H3.
What are the key properties of ethyl 6-chloro-2,5-dimethylpyrimidine-4-carboxylate?
ethyl 6-chloro-2,5-dimethylpyrimidine-4-carboxylate has a molecular weight of 214.65 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-2,5-dimethylpyrimidine-4-carboxylate is sourced from PubChem (CID 50998928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).