4-(5-bromopyrimidin-4-yl)morpholine

C8H10BrN3O — CID 4550008

IUPAC4-(5-bromopyrimidin-4-yl)morpholine
SMILESBrc1cncnc1N1CCOCC1
InChIInChI=1S/C8H10BrN3O/c9-7-5-10-6-11-8(7)12-1-3-13-4-2-12/h5-6H,1-4H2
InChIKeyHKSUCMINWUDIAX-UHFFFAOYSA-N
MW244.09 g/mol
LogP1.08
Rot. Bonds1

About 4-(5-bromopyrimidin-4-yl)morpholine

4-(5-bromopyrimidin-4-yl)morpholine (PubChem CID 4550008) has the molecular formula C8H10BrN3O and a molecular weight of 244.09 g/mol. Its IUPAC name is 4-(5-bromopyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(5-bromopyrimidin-4-yl)morpholine
PubChem CID4550008
Molecular FormulaC8H10BrN3O
Molecular Weight244.09 g/mol
Exact Mass243.00
IUPAC Name4-(5-bromopyrimidin-4-yl)morpholine
SMILESBrc1cncnc1N1CCOCC1
InChIInChI=1S/C8H10BrN3O/c9-7-5-10-6-11-8(7)12-1-3-13-4-2-12/h5-6H,1-4H2
InChIKeyHKSUCMINWUDIAX-UHFFFAOYSA-N
XLogP1.08
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromopyrimidin-4-yl)morpholine?
The IUPAC name of 4-(5-bromopyrimidin-4-yl)morpholine (CID 4550008) is 4-(5-bromopyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(5-bromopyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(5-bromopyrimidin-4-yl)morpholine is Brc1cncnc1N1CCOCC1.
What is the InChIKey of 4-(5-bromopyrimidin-4-yl)morpholine?
The InChIKey is HKSUCMINWUDIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O/c9-7-5-10-6-11-8(7)12-1-3-13-4-2-12/h5-6H,1-4H2.
What are the key properties of 4-(5-bromopyrimidin-4-yl)morpholine?
4-(5-bromopyrimidin-4-yl)morpholine has a molecular weight of 244.09 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromopyrimidin-4-yl)morpholine is sourced from PubChem (CID 4550008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).