2-ethoxy-4,6-bis(2-fluoroethoxy)pyrimidine

C10H14F2N2O3 — CID 57041324

IUPAC2-ethoxy-4,6-bis(2-fluoroethoxy)pyrimidine
SMILESCCOc1nc(OCCF)cc(OCCF)n1
InChIInChI=1S/C10H14F2N2O3/c1-2-15-10-13-8(16-5-3-11)7-9(14-10)17-6-4-12/h7H,2-6H2,1H3
InChIKeyPNSMUKOMELUFSJ-UHFFFAOYSA-N
MW248.23 g/mol
LogP1.57
Rot. Bonds8

About 2-ethoxy-4,6-bis(2-fluoroethoxy)pyrimidine

2-ethoxy-4,6-bis(2-fluoroethoxy)pyrimidine (PubChem CID 57041324) has the molecular formula C10H14F2N2O3 and a molecular weight of 248.23 g/mol. Its IUPAC name is 2-ethoxy-4,6-bis(2-fluoroethoxy)pyrimidine.

Molecular Properties

Compound Name2-ethoxy-4,6-bis(2-fluoroethoxy)pyrimidine
PubChem CID57041324
Molecular FormulaC10H14F2N2O3
Molecular Weight248.23 g/mol
Exact Mass248.10
IUPAC Name2-ethoxy-4,6-bis(2-fluoroethoxy)pyrimidine
SMILESCCOc1nc(OCCF)cc(OCCF)n1
InChIInChI=1S/C10H14F2N2O3/c1-2-15-10-13-8(16-5-3-11)7-9(14-10)17-6-4-12/h7H,2-6H2,1H3
InChIKeyPNSMUKOMELUFSJ-UHFFFAOYSA-N
XLogP1.57
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4,6-bis(2-fluoroethoxy)pyrimidine?
The IUPAC name of 2-ethoxy-4,6-bis(2-fluoroethoxy)pyrimidine (CID 57041324) is 2-ethoxy-4,6-bis(2-fluoroethoxy)pyrimidine.
What is the SMILES notation for 2-ethoxy-4,6-bis(2-fluoroethoxy)pyrimidine?
The canonical SMILES for 2-ethoxy-4,6-bis(2-fluoroethoxy)pyrimidine is CCOc1nc(OCCF)cc(OCCF)n1.
What is the InChIKey of 2-ethoxy-4,6-bis(2-fluoroethoxy)pyrimidine?
The InChIKey is PNSMUKOMELUFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O3/c1-2-15-10-13-8(16-5-3-11)7-9(14-10)17-6-4-12/h7H,2-6H2,1H3.
What are the key properties of 2-ethoxy-4,6-bis(2-fluoroethoxy)pyrimidine?
2-ethoxy-4,6-bis(2-fluoroethoxy)pyrimidine has a molecular weight of 248.23 g/mol, XLogP of 1.57, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4,6-bis(2-fluoroethoxy)pyrimidine is sourced from PubChem (CID 57041324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).