4-(2-chloro-5-fluoropyrimidin-4-yl)morpholine

C8H9ClFN3O — CID 3121397

IUPAC4-(2-chloro-5-fluoropyrimidin-4-yl)morpholine
SMILESFc1cnc(Cl)nc1N1CCOCC1
InChIInChI=1S/C8H9ClFN3O/c9-8-11-5-6(10)7(12-8)13-1-3-14-4-2-13/h5H,1-4H2
InChIKeyWSPHSTZJODFDMB-UHFFFAOYSA-N
MW217.63 g/mol
LogP1.11
Rot. Bonds1

About 4-(2-chloro-5-fluoropyrimidin-4-yl)morpholine

4-(2-chloro-5-fluoropyrimidin-4-yl)morpholine (PubChem CID 3121397) has the molecular formula C8H9ClFN3O and a molecular weight of 217.63 g/mol. Its IUPAC name is 4-(2-chloro-5-fluoropyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(2-chloro-5-fluoropyrimidin-4-yl)morpholine
PubChem CID3121397
Molecular FormulaC8H9ClFN3O
Molecular Weight217.63 g/mol
Exact Mass217.04
IUPAC Name4-(2-chloro-5-fluoropyrimidin-4-yl)morpholine
SMILESFc1cnc(Cl)nc1N1CCOCC1
InChIInChI=1S/C8H9ClFN3O/c9-8-11-5-6(10)7(12-8)13-1-3-14-4-2-13/h5H,1-4H2
InChIKeyWSPHSTZJODFDMB-UHFFFAOYSA-N
XLogP1.11
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.63
LogP ≤ 51.11
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)morpholine?
The IUPAC name of 4-(2-chloro-5-fluoropyrimidin-4-yl)morpholine (CID 3121397) is 4-(2-chloro-5-fluoropyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(2-chloro-5-fluoropyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(2-chloro-5-fluoropyrimidin-4-yl)morpholine is Fc1cnc(Cl)nc1N1CCOCC1.
What is the InChIKey of 4-(2-chloro-5-fluoropyrimidin-4-yl)morpholine?
The InChIKey is WSPHSTZJODFDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFN3O/c9-8-11-5-6(10)7(12-8)13-1-3-14-4-2-13/h5H,1-4H2.
What are the key properties of 4-(2-chloro-5-fluoropyrimidin-4-yl)morpholine?
4-(2-chloro-5-fluoropyrimidin-4-yl)morpholine has a molecular weight of 217.63 g/mol, XLogP of 1.11, 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)morpholine is sourced from PubChem (CID 3121397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).