4-(2-chloro-5-fluoropyrimidin-4-yl)-2,2-diethylmorpholine

C12H17ClFN3O — CID 172608412

IUPAC4-(2-chloro-5-fluoropyrimidin-4-yl)-2,2-diethylmorpholine
SMILESCCC1(CC)CN(c2nc(Cl)ncc2F)CCO1
InChIInChI=1S/C12H17ClFN3O/c1-3-12(4-2)8-17(5-6-18-12)10-9(14)7-15-11(13)16-10/h7H,3-6,8H2,1-2H3
InChIKeyICBIBRYYLULWQX-UHFFFAOYSA-N
MW273.74 g/mol
LogP2.66
Rot. Bonds3

About 4-(2-chloro-5-fluoropyrimidin-4-yl)-2,2-diethylmorpholine

4-(2-chloro-5-fluoropyrimidin-4-yl)-2,2-diethylmorpholine (PubChem CID 172608412) has the molecular formula C12H17ClFN3O and a molecular weight of 273.74 g/mol. Its IUPAC name is 4-(2-chloro-5-fluoropyrimidin-4-yl)-2,2-diethylmorpholine.

Molecular Properties

Compound Name4-(2-chloro-5-fluoropyrimidin-4-yl)-2,2-diethylmorpholine
PubChem CID172608412
Molecular FormulaC12H17ClFN3O
Molecular Weight273.74 g/mol
Exact Mass273.10
IUPAC Name4-(2-chloro-5-fluoropyrimidin-4-yl)-2,2-diethylmorpholine
SMILESCCC1(CC)CN(c2nc(Cl)ncc2F)CCO1
InChIInChI=1S/C12H17ClFN3O/c1-3-12(4-2)8-17(5-6-18-12)10-9(14)7-15-11(13)16-10/h7H,3-6,8H2,1-2H3
InChIKeyICBIBRYYLULWQX-UHFFFAOYSA-N
XLogP2.66
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.74
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-fluoropyrimidin-4-yl)-2,2-diethylmorpholine?
The IUPAC name of 4-(2-chloro-5-fluoropyrimidin-4-yl)-2,2-diethylmorpholine (CID 172608412) is 4-(2-chloro-5-fluoropyrimidin-4-yl)-2,2-diethylmorpholine.
What is the SMILES notation for 4-(2-chloro-5-fluoropyrimidin-4-yl)-2,2-diethylmorpholine?
The canonical SMILES for 4-(2-chloro-5-fluoropyrimidin-4-yl)-2,2-diethylmorpholine is CCC1(CC)CN(c2nc(Cl)ncc2F)CCO1.
What is the InChIKey of 4-(2-chloro-5-fluoropyrimidin-4-yl)-2,2-diethylmorpholine?
The InChIKey is ICBIBRYYLULWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFN3O/c1-3-12(4-2)8-17(5-6-18-12)10-9(14)7-15-11(13)16-10/h7H,3-6,8H2,1-2H3.
What are the key properties of 4-(2-chloro-5-fluoropyrimidin-4-yl)-2,2-diethylmorpholine?
4-(2-chloro-5-fluoropyrimidin-4-yl)-2,2-diethylmorpholine has a molecular weight of 273.74 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-fluoropyrimidin-4-yl)-2,2-diethylmorpholine is sourced from PubChem (CID 172608412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).