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

C9H11ClN2O4 — CID 101405716

IUPACethyl 4-chloro-2,6-dimethoxypyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(Cl)nc(OC)nc1OC
InChIInChI=1S/C9H11ClN2O4/c1-4-16-8(13)5-6(10)11-9(15-3)12-7(5)14-2/h4H2,1-3H3
InChIKeyBGGSCYPGMZUUNI-UHFFFAOYSA-N
MW246.65 g/mol
LogP1.32
Rot. Bonds4

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

ethyl 4-chloro-2,6-dimethoxypyrimidine-5-carboxylate (PubChem CID 101405716) has the molecular formula C9H11ClN2O4 and a molecular weight of 246.65 g/mol. Its IUPAC name is ethyl 4-chloro-2,6-dimethoxypyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-2,6-dimethoxypyrimidine-5-carboxylate
PubChem CID101405716
Molecular FormulaC9H11ClN2O4
Molecular Weight246.65 g/mol
Exact Mass246.04
IUPAC Nameethyl 4-chloro-2,6-dimethoxypyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(Cl)nc(OC)nc1OC
InChIInChI=1S/C9H11ClN2O4/c1-4-16-8(13)5-6(10)11-9(15-3)12-7(5)14-2/h4H2,1-3H3
InChIKeyBGGSCYPGMZUUNI-UHFFFAOYSA-N
XLogP1.32
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.65
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-2,6-dimethoxypyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-chloro-2,6-dimethoxypyrimidine-5-carboxylate (CID 101405716) is ethyl 4-chloro-2,6-dimethoxypyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-chloro-2,6-dimethoxypyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-chloro-2,6-dimethoxypyrimidine-5-carboxylate is CCOC(=O)c1c(Cl)nc(OC)nc1OC.
What is the InChIKey of ethyl 4-chloro-2,6-dimethoxypyrimidine-5-carboxylate?
The InChIKey is BGGSCYPGMZUUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O4/c1-4-16-8(13)5-6(10)11-9(15-3)12-7(5)14-2/h4H2,1-3H3.
What are the key properties of ethyl 4-chloro-2,6-dimethoxypyrimidine-5-carboxylate?
ethyl 4-chloro-2,6-dimethoxypyrimidine-5-carboxylate has a molecular weight of 246.65 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-2,6-dimethoxypyrimidine-5-carboxylate is sourced from PubChem (CID 101405716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).