ethyl 2-(4,6-dimethoxypyrimidin-2-yl)-2-fluoroacetate

C10H13FN2O4 — CID 22420763

IUPACethyl 2-(4,6-dimethoxypyrimidin-2-yl)-2-fluoroacetate
SMILESCCOC(=O)C(F)c1nc(OC)cc(OC)n1
InChIInChI=1S/C10H13FN2O4/c1-4-17-10(14)8(11)9-12-6(15-2)5-7(13-9)16-3/h5,8H,4H2,1-3H3
InChIKeySVYBRECFQSBXFZ-UHFFFAOYSA-N
MW244.22 g/mol
LogP1.07
Rot. Bonds5

About ethyl 2-(4,6-dimethoxypyrimidin-2-yl)-2-fluoroacetate

ethyl 2-(4,6-dimethoxypyrimidin-2-yl)-2-fluoroacetate (PubChem CID 22420763) has the molecular formula C10H13FN2O4 and a molecular weight of 244.22 g/mol. Its IUPAC name is ethyl 2-(4,6-dimethoxypyrimidin-2-yl)-2-fluoroacetate.

Molecular Properties

Compound Nameethyl 2-(4,6-dimethoxypyrimidin-2-yl)-2-fluoroacetate
PubChem CID22420763
Molecular FormulaC10H13FN2O4
Molecular Weight244.22 g/mol
Exact Mass244.09
IUPAC Nameethyl 2-(4,6-dimethoxypyrimidin-2-yl)-2-fluoroacetate
SMILESCCOC(=O)C(F)c1nc(OC)cc(OC)n1
InChIInChI=1S/C10H13FN2O4/c1-4-17-10(14)8(11)9-12-6(15-2)5-7(13-9)16-3/h5,8H,4H2,1-3H3
InChIKeySVYBRECFQSBXFZ-UHFFFAOYSA-N
XLogP1.07
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-(4,6-dimethoxypyrimidin-2-yl)-2-fluoroacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4,6-dimethoxypyrimidin-2-yl)-2-fluoroacetate?
The IUPAC name of ethyl 2-(4,6-dimethoxypyrimidin-2-yl)-2-fluoroacetate (CID 22420763) is ethyl 2-(4,6-dimethoxypyrimidin-2-yl)-2-fluoroacetate.
What is the SMILES notation for ethyl 2-(4,6-dimethoxypyrimidin-2-yl)-2-fluoroacetate?
The canonical SMILES for ethyl 2-(4,6-dimethoxypyrimidin-2-yl)-2-fluoroacetate is CCOC(=O)C(F)c1nc(OC)cc(OC)n1.
What is the InChIKey of ethyl 2-(4,6-dimethoxypyrimidin-2-yl)-2-fluoroacetate?
The InChIKey is SVYBRECFQSBXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O4/c1-4-17-10(14)8(11)9-12-6(15-2)5-7(13-9)16-3/h5,8H,4H2,1-3H3.
What are the key properties of ethyl 2-(4,6-dimethoxypyrimidin-2-yl)-2-fluoroacetate?
ethyl 2-(4,6-dimethoxypyrimidin-2-yl)-2-fluoroacetate has a molecular weight of 244.22 g/mol, XLogP of 1.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4,6-dimethoxypyrimidin-2-yl)-2-fluoroacetate is sourced from PubChem (CID 22420763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).