ethyl 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)-2-fluoroacetate

C10H13FN2O3 — CID 81297776

IUPACethyl 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)-2-fluoroacetate
SMILESCCOC(=O)C(F)n1c(C)nc(C)cc1=O
InChIInChI=1S/C10H13FN2O3/c1-4-16-10(15)9(11)13-7(3)12-6(2)5-8(13)14/h5,9H,4H2,1-3H3
InChIKeyJNOSYAHBDVVROI-UHFFFAOYSA-N
MW228.22 g/mol
LogP0.89
Rot. Bonds3

About ethyl 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)-2-fluoroacetate

ethyl 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)-2-fluoroacetate (PubChem CID 81297776) has the molecular formula C10H13FN2O3 and a molecular weight of 228.22 g/mol. Its IUPAC name is ethyl 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)-2-fluoroacetate.

Molecular Properties

Compound Nameethyl 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)-2-fluoroacetate
PubChem CID81297776
Molecular FormulaC10H13FN2O3
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Nameethyl 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)-2-fluoroacetate
SMILESCCOC(=O)C(F)n1c(C)nc(C)cc1=O
InChIInChI=1S/C10H13FN2O3/c1-4-16-10(15)9(11)13-7(3)12-6(2)5-8(13)14/h5,9H,4H2,1-3H3
InChIKeyJNOSYAHBDVVROI-UHFFFAOYSA-N
XLogP0.89
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)-2-fluoroacetate?
The IUPAC name of ethyl 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)-2-fluoroacetate (CID 81297776) is ethyl 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)-2-fluoroacetate.
What is the SMILES notation for ethyl 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)-2-fluoroacetate?
The canonical SMILES for ethyl 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)-2-fluoroacetate is CCOC(=O)C(F)n1c(C)nc(C)cc1=O.
What is the InChIKey of ethyl 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)-2-fluoroacetate?
The InChIKey is JNOSYAHBDVVROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O3/c1-4-16-10(15)9(11)13-7(3)12-6(2)5-8(13)14/h5,9H,4H2,1-3H3.
What are the key properties of ethyl 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)-2-fluoroacetate?
ethyl 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)-2-fluoroacetate has a molecular weight of 228.22 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)-2-fluoroacetate is sourced from PubChem (CID 81297776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).