4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholine

C8H8Cl2FN3O — CID 86644126

IUPAC4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholine
SMILESFc1c(Cl)nc(Cl)nc1N1CCOCC1
InChIInChI=1S/C8H8Cl2FN3O/c9-6-5(11)7(13-8(10)12-6)14-1-3-15-4-2-14/h1-4H2
InChIKeyBEEVFQMKUBLZAW-UHFFFAOYSA-N
MW252.08 g/mol
LogP1.76
Rot. Bonds1

About 4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholine

4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholine (PubChem CID 86644126) has the molecular formula C8H8Cl2FN3O and a molecular weight of 252.08 g/mol. Its IUPAC name is 4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholine
PubChem CID86644126
Molecular FormulaC8H8Cl2FN3O
Molecular Weight252.08 g/mol
Exact Mass251.00
IUPAC Name4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholine
SMILESFc1c(Cl)nc(Cl)nc1N1CCOCC1
InChIInChI=1S/C8H8Cl2FN3O/c9-6-5(11)7(13-8(10)12-6)14-1-3-15-4-2-14/h1-4H2
InChIKeyBEEVFQMKUBLZAW-UHFFFAOYSA-N
XLogP1.76
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.08
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholine?
The IUPAC name of 4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholine (CID 86644126) is 4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholine is Fc1c(Cl)nc(Cl)nc1N1CCOCC1.
What is the InChIKey of 4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholine?
The InChIKey is BEEVFQMKUBLZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2FN3O/c9-6-5(11)7(13-8(10)12-6)14-1-3-15-4-2-14/h1-4H2.
What are the key properties of 4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholine?
4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholine has a molecular weight of 252.08 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholine is sourced from PubChem (CID 86644126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).