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

C8H9ClN2O4 — CID 11492363

IUPACmethyl 2-chloro-5,6-dimethoxypyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(Cl)nc(OC)c1OC
InChIInChI=1S/C8H9ClN2O4/c1-13-5-4(7(12)15-3)10-8(9)11-6(5)14-2/h1-3H3
InChIKeyVHMJXXGDXNEVFA-UHFFFAOYSA-N
MW232.62 g/mol
LogP0.93
Rot. Bonds3

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

methyl 2-chloro-5,6-dimethoxypyrimidine-4-carboxylate (PubChem CID 11492363) has the molecular formula C8H9ClN2O4 and a molecular weight of 232.62 g/mol. Its IUPAC name is methyl 2-chloro-5,6-dimethoxypyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-5,6-dimethoxypyrimidine-4-carboxylate
PubChem CID11492363
Molecular FormulaC8H9ClN2O4
Molecular Weight232.62 g/mol
Exact Mass232.03
IUPAC Namemethyl 2-chloro-5,6-dimethoxypyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(Cl)nc(OC)c1OC
InChIInChI=1S/C8H9ClN2O4/c1-13-5-4(7(12)15-3)10-8(9)11-6(5)14-2/h1-3H3
InChIKeyVHMJXXGDXNEVFA-UHFFFAOYSA-N
XLogP0.93
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.62
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5,6-dimethoxypyrimidine-4-carboxylate?
The IUPAC name of methyl 2-chloro-5,6-dimethoxypyrimidine-4-carboxylate (CID 11492363) is methyl 2-chloro-5,6-dimethoxypyrimidine-4-carboxylate.
What is the SMILES notation for methyl 2-chloro-5,6-dimethoxypyrimidine-4-carboxylate?
The canonical SMILES for methyl 2-chloro-5,6-dimethoxypyrimidine-4-carboxylate is COC(=O)c1nc(Cl)nc(OC)c1OC.
What is the InChIKey of methyl 2-chloro-5,6-dimethoxypyrimidine-4-carboxylate?
The InChIKey is VHMJXXGDXNEVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O4/c1-13-5-4(7(12)15-3)10-8(9)11-6(5)14-2/h1-3H3.
What are the key properties of methyl 2-chloro-5,6-dimethoxypyrimidine-4-carboxylate?
methyl 2-chloro-5,6-dimethoxypyrimidine-4-carboxylate has a molecular weight of 232.62 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5,6-dimethoxypyrimidine-4-carboxylate is sourced from PubChem (CID 11492363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).