2-(2,2-dimethoxyethoxy)-4-ethoxy-5-fluoropyrimidine

C10H15FN2O4 — CID 22132323

IUPAC2-(2,2-dimethoxyethoxy)-4-ethoxy-5-fluoropyrimidine
SMILESCCOc1nc(OCC(OC)OC)ncc1F
InChIInChI=1S/C10H15FN2O4/c1-4-16-9-7(11)5-12-10(13-9)17-6-8(14-2)15-3/h5,8H,4,6H2,1-3H3
InChIKeyFJKYFKBZMRPFGI-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.01
Rot. Bonds7

About 2-(2,2-dimethoxyethoxy)-4-ethoxy-5-fluoropyrimidine

2-(2,2-dimethoxyethoxy)-4-ethoxy-5-fluoropyrimidine (PubChem CID 22132323) has the molecular formula C10H15FN2O4 and a molecular weight of 246.24 g/mol. Its IUPAC name is 2-(2,2-dimethoxyethoxy)-4-ethoxy-5-fluoropyrimidine.

Molecular Properties

Compound Name2-(2,2-dimethoxyethoxy)-4-ethoxy-5-fluoropyrimidine
PubChem CID22132323
Molecular FormulaC10H15FN2O4
Molecular Weight246.24 g/mol
Exact Mass246.10
IUPAC Name2-(2,2-dimethoxyethoxy)-4-ethoxy-5-fluoropyrimidine
SMILESCCOc1nc(OCC(OC)OC)ncc1F
InChIInChI=1S/C10H15FN2O4/c1-4-16-9-7(11)5-12-10(13-9)17-6-8(14-2)15-3/h5,8H,4,6H2,1-3H3
InChIKeyFJKYFKBZMRPFGI-UHFFFAOYSA-N
XLogP1.01
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethoxyethoxy)-4-ethoxy-5-fluoropyrimidine?
The IUPAC name of 2-(2,2-dimethoxyethoxy)-4-ethoxy-5-fluoropyrimidine (CID 22132323) is 2-(2,2-dimethoxyethoxy)-4-ethoxy-5-fluoropyrimidine.
What is the SMILES notation for 2-(2,2-dimethoxyethoxy)-4-ethoxy-5-fluoropyrimidine?
The canonical SMILES for 2-(2,2-dimethoxyethoxy)-4-ethoxy-5-fluoropyrimidine is CCOc1nc(OCC(OC)OC)ncc1F.
What is the InChIKey of 2-(2,2-dimethoxyethoxy)-4-ethoxy-5-fluoropyrimidine?
The InChIKey is FJKYFKBZMRPFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O4/c1-4-16-9-7(11)5-12-10(13-9)17-6-8(14-2)15-3/h5,8H,4,6H2,1-3H3.
What are the key properties of 2-(2,2-dimethoxyethoxy)-4-ethoxy-5-fluoropyrimidine?
2-(2,2-dimethoxyethoxy)-4-ethoxy-5-fluoropyrimidine has a molecular weight of 246.24 g/mol, XLogP of 1.01, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethoxyethoxy)-4-ethoxy-5-fluoropyrimidine is sourced from PubChem (CID 22132323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).