4,6-dichloro-2-(1-ethoxyethyl)-5-fluoropyrimidine

C8H9Cl2FN2O — CID 80550296

IUPAC4,6-dichloro-2-(1-ethoxyethyl)-5-fluoropyrimidine
SMILESCCOC(C)c1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C8H9Cl2FN2O/c1-3-14-4(2)8-12-6(9)5(11)7(10)13-8/h4H,3H2,1-2H3
InChIKeyLUWZYBFSUASCCW-UHFFFAOYSA-N
MW239.08 g/mol
LogP3.02
Rot. Bonds3

About 4,6-dichloro-2-(1-ethoxyethyl)-5-fluoropyrimidine

4,6-dichloro-2-(1-ethoxyethyl)-5-fluoropyrimidine (PubChem CID 80550296) has the molecular formula C8H9Cl2FN2O and a molecular weight of 239.08 g/mol. Its IUPAC name is 4,6-dichloro-2-(1-ethoxyethyl)-5-fluoropyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(1-ethoxyethyl)-5-fluoropyrimidine
PubChem CID80550296
Molecular FormulaC8H9Cl2FN2O
Molecular Weight239.08 g/mol
Exact Mass238.01
IUPAC Name4,6-dichloro-2-(1-ethoxyethyl)-5-fluoropyrimidine
SMILESCCOC(C)c1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C8H9Cl2FN2O/c1-3-14-4(2)8-12-6(9)5(11)7(10)13-8/h4H,3H2,1-2H3
InChIKeyLUWZYBFSUASCCW-UHFFFAOYSA-N
XLogP3.02
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.08
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-Dichloro-2-(ethoxymethyl)pyrimidine
CID 65669367
4-(4,6-Dichloro-5-fluoropyrimidin-2-yl)morpholine
CID 59507617
4,6-Dichloro-2-(1-methoxyethyl)pyrimidine
CID 79617116
4-(2,6-Dichloro-5-fluoropyrimidin-4-yl)morpholine
CID 86644126
2,4-Dichloro-5-fluoro-6-(3-methoxyazetidin-1-yl)pyrimidine
CID 87758080
4,6-Dichloro-2-(2,2,2-trifluoroethoxymethyl)pyrimidine
CID 103473548
(3R)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)-3-methylmorpholine
CID 155376064
4-(2,6-Dichloro-5-fluoropyrimidin-4-yl)-3-methylmorpholine
CID 155376214
4,6-Dichloro-2-(1,2,2-trifluoroethoxymethyl)pyrimidine
CID 175548643
4-Chloro-2-(1-ethoxyethyl)-5-fluoro-6-methylpyrimidine
CID 66000031
2-(4,6-Dichloro-5-fluoropyrimidin-2-yl)-4-ethylmorpholine
CID 80550167
4,6-Dichloro-2-(ethoxymethyl)-5-fluoropyrimidine
CID 80550169

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(1-ethoxyethyl)-5-fluoropyrimidine?
The IUPAC name of 4,6-dichloro-2-(1-ethoxyethyl)-5-fluoropyrimidine (CID 80550296) is 4,6-dichloro-2-(1-ethoxyethyl)-5-fluoropyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(1-ethoxyethyl)-5-fluoropyrimidine?
The canonical SMILES for 4,6-dichloro-2-(1-ethoxyethyl)-5-fluoropyrimidine is CCOC(C)c1nc(Cl)c(F)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-(1-ethoxyethyl)-5-fluoropyrimidine?
The InChIKey is LUWZYBFSUASCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2FN2O/c1-3-14-4(2)8-12-6(9)5(11)7(10)13-8/h4H,3H2,1-2H3.
What are the key properties of 4,6-dichloro-2-(1-ethoxyethyl)-5-fluoropyrimidine?
4,6-dichloro-2-(1-ethoxyethyl)-5-fluoropyrimidine has a molecular weight of 239.08 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(1-ethoxyethyl)-5-fluoropyrimidine is sourced from PubChem (CID 80550296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).