2-chloro-4-ethoxy-6-ethyl-5-fluoropyrimidine

C8H10ClFN2O — CID 58252163

IUPAC2-chloro-4-ethoxy-6-ethyl-5-fluoropyrimidine
SMILESCCOc1nc(Cl)nc(CC)c1F
InChIInChI=1S/C8H10ClFN2O/c1-3-5-6(10)7(13-4-2)12-8(9)11-5/h3-4H2,1-2H3
InChIKeyACLYNPOHUPZKMO-UHFFFAOYSA-N
MW204.63 g/mol
LogP2.23
Rot. Bonds3

About 2-chloro-4-ethoxy-6-ethyl-5-fluoropyrimidine

2-chloro-4-ethoxy-6-ethyl-5-fluoropyrimidine (PubChem CID 58252163) has the molecular formula C8H10ClFN2O and a molecular weight of 204.63 g/mol. Its IUPAC name is 2-chloro-4-ethoxy-6-ethyl-5-fluoropyrimidine.

Molecular Properties

Compound Name2-chloro-4-ethoxy-6-ethyl-5-fluoropyrimidine
PubChem CID58252163
Molecular FormulaC8H10ClFN2O
Molecular Weight204.63 g/mol
Exact Mass204.05
IUPAC Name2-chloro-4-ethoxy-6-ethyl-5-fluoropyrimidine
SMILESCCOc1nc(Cl)nc(CC)c1F
InChIInChI=1S/C8H10ClFN2O/c1-3-5-6(10)7(13-4-2)12-8(9)11-5/h3-4H2,1-2H3
InChIKeyACLYNPOHUPZKMO-UHFFFAOYSA-N
XLogP2.23
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.63
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethoxy-6-ethyl-5-fluoropyrimidine?
The IUPAC name of 2-chloro-4-ethoxy-6-ethyl-5-fluoropyrimidine (CID 58252163) is 2-chloro-4-ethoxy-6-ethyl-5-fluoropyrimidine.
What is the SMILES notation for 2-chloro-4-ethoxy-6-ethyl-5-fluoropyrimidine?
The canonical SMILES for 2-chloro-4-ethoxy-6-ethyl-5-fluoropyrimidine is CCOc1nc(Cl)nc(CC)c1F.
What is the InChIKey of 2-chloro-4-ethoxy-6-ethyl-5-fluoropyrimidine?
The InChIKey is ACLYNPOHUPZKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClFN2O/c1-3-5-6(10)7(13-4-2)12-8(9)11-5/h3-4H2,1-2H3.
What are the key properties of 2-chloro-4-ethoxy-6-ethyl-5-fluoropyrimidine?
2-chloro-4-ethoxy-6-ethyl-5-fluoropyrimidine has a molecular weight of 204.63 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethoxy-6-ethyl-5-fluoropyrimidine is sourced from PubChem (CID 58252163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).