4-(5-bromo-4-chloro-6-propylpyrimidin-2-yl)morpholine

C11H15BrClN3O — CID 66294584

IUPAC4-(5-bromo-4-chloro-6-propylpyrimidin-2-yl)morpholine
SMILESCCCc1nc(N2CCOCC2)nc(Cl)c1Br
InChIInChI=1S/C11H15BrClN3O/c1-2-3-8-9(12)10(13)15-11(14-8)16-4-6-17-7-5-16/h2-7H2,1H3
InChIKeyXTVNJTIMMZGRHM-UHFFFAOYSA-N
MW320.62 g/mol
LogP2.68
Rot. Bonds3

About 4-(5-bromo-4-chloro-6-propylpyrimidin-2-yl)morpholine

4-(5-bromo-4-chloro-6-propylpyrimidin-2-yl)morpholine (PubChem CID 66294584) has the molecular formula C11H15BrClN3O and a molecular weight of 320.62 g/mol. Its IUPAC name is 4-(5-bromo-4-chloro-6-propylpyrimidin-2-yl)morpholine.

Molecular Properties

Compound Name4-(5-bromo-4-chloro-6-propylpyrimidin-2-yl)morpholine
PubChem CID66294584
Molecular FormulaC11H15BrClN3O
Molecular Weight320.62 g/mol
Exact Mass319.01
IUPAC Name4-(5-bromo-4-chloro-6-propylpyrimidin-2-yl)morpholine
SMILESCCCc1nc(N2CCOCC2)nc(Cl)c1Br
InChIInChI=1S/C11H15BrClN3O/c1-2-3-8-9(12)10(13)15-11(14-8)16-4-6-17-7-5-16/h2-7H2,1H3
InChIKeyXTVNJTIMMZGRHM-UHFFFAOYSA-N
XLogP2.68
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.62
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-4-chloro-6-propylpyrimidin-2-yl)morpholine?
The IUPAC name of 4-(5-bromo-4-chloro-6-propylpyrimidin-2-yl)morpholine (CID 66294584) is 4-(5-bromo-4-chloro-6-propylpyrimidin-2-yl)morpholine.
What is the SMILES notation for 4-(5-bromo-4-chloro-6-propylpyrimidin-2-yl)morpholine?
The canonical SMILES for 4-(5-bromo-4-chloro-6-propylpyrimidin-2-yl)morpholine is CCCc1nc(N2CCOCC2)nc(Cl)c1Br.
What is the InChIKey of 4-(5-bromo-4-chloro-6-propylpyrimidin-2-yl)morpholine?
The InChIKey is XTVNJTIMMZGRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClN3O/c1-2-3-8-9(12)10(13)15-11(14-8)16-4-6-17-7-5-16/h2-7H2,1H3.
What are the key properties of 4-(5-bromo-4-chloro-6-propylpyrimidin-2-yl)morpholine?
4-(5-bromo-4-chloro-6-propylpyrimidin-2-yl)morpholine has a molecular weight of 320.62 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-4-chloro-6-propylpyrimidin-2-yl)morpholine is sourced from PubChem (CID 66294584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).