4-(2-chloro-5-fluoropyrimidin-4-yl)-2,2,6-trimethylmorpholine

C11H15ClFN3O — CID 79080444

IUPAC4-(2-chloro-5-fluoropyrimidin-4-yl)-2,2,6-trimethylmorpholine
SMILESCC1CN(c2nc(Cl)ncc2F)CC(C)(C)O1
InChIInChI=1S/C11H15ClFN3O/c1-7-5-16(6-11(2,3)17-7)9-8(13)4-14-10(12)15-9/h4,7H,5-6H2,1-3H3
InChIKeyYYEGKKPBRUVMMG-UHFFFAOYSA-N
MW259.71 g/mol
LogP2.27
Rot. Bonds1

About 4-(2-chloro-5-fluoropyrimidin-4-yl)-2,2,6-trimethylmorpholine

4-(2-chloro-5-fluoropyrimidin-4-yl)-2,2,6-trimethylmorpholine (PubChem CID 79080444) has the molecular formula C11H15ClFN3O and a molecular weight of 259.71 g/mol. Its IUPAC name is 4-(2-chloro-5-fluoropyrimidin-4-yl)-2,2,6-trimethylmorpholine.

Molecular Properties

Compound Name4-(2-chloro-5-fluoropyrimidin-4-yl)-2,2,6-trimethylmorpholine
PubChem CID79080444
Molecular FormulaC11H15ClFN3O
Molecular Weight259.71 g/mol
Exact Mass259.09
IUPAC Name4-(2-chloro-5-fluoropyrimidin-4-yl)-2,2,6-trimethylmorpholine
SMILESCC1CN(c2nc(Cl)ncc2F)CC(C)(C)O1
InChIInChI=1S/C11H15ClFN3O/c1-7-5-16(6-11(2,3)17-7)9-8(13)4-14-10(12)15-9/h4,7H,5-6H2,1-3H3
InChIKeyYYEGKKPBRUVMMG-UHFFFAOYSA-N
XLogP2.27
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 52.27
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)-2,2,6-trimethylmorpholine?
The IUPAC name of 4-(2-chloro-5-fluoropyrimidin-4-yl)-2,2,6-trimethylmorpholine (CID 79080444) is 4-(2-chloro-5-fluoropyrimidin-4-yl)-2,2,6-trimethylmorpholine.
What is the SMILES notation for 4-(2-chloro-5-fluoropyrimidin-4-yl)-2,2,6-trimethylmorpholine?
The canonical SMILES for 4-(2-chloro-5-fluoropyrimidin-4-yl)-2,2,6-trimethylmorpholine is CC1CN(c2nc(Cl)ncc2F)CC(C)(C)O1.
What is the InChIKey of 4-(2-chloro-5-fluoropyrimidin-4-yl)-2,2,6-trimethylmorpholine?
The InChIKey is YYEGKKPBRUVMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN3O/c1-7-5-16(6-11(2,3)17-7)9-8(13)4-14-10(12)15-9/h4,7H,5-6H2,1-3H3.
What are the key properties of 4-(2-chloro-5-fluoropyrimidin-4-yl)-2,2,6-trimethylmorpholine?
4-(2-chloro-5-fluoropyrimidin-4-yl)-2,2,6-trimethylmorpholine has a molecular weight of 259.71 g/mol, XLogP of 2.27, 1 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)-2,2,6-trimethylmorpholine is sourced from PubChem (CID 79080444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).