4-[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]morpholine

C15H16BrN3O — CID 755177

IUPAC4-[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]morpholine
SMILESCc1cc(N2CCOCC2)nc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C15H16BrN3O/c1-11-10-14(19-6-8-20-9-7-19)18-15(17-11)12-2-4-13(16)5-3-12/h2-5,10H,6-9H2,1H3
InChIKeyFZTMTYVVXSINMO-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.05
Rot. Bonds2

About 4-[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]morpholine

4-[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]morpholine (PubChem CID 755177) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 4-[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]morpholine
PubChem CID755177
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name4-[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]morpholine
SMILESCc1cc(N2CCOCC2)nc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C15H16BrN3O/c1-11-10-14(19-6-8-20-9-7-19)18-15(17-11)12-2-4-13(16)5-3-12/h2-5,10H,6-9H2,1H3
InChIKeyFZTMTYVVXSINMO-UHFFFAOYSA-N
XLogP3.05
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]morpholine (CID 755177) is 4-[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]morpholine is Cc1cc(N2CCOCC2)nc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 4-[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]morpholine?
The InChIKey is FZTMTYVVXSINMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-11-10-14(19-6-8-20-9-7-19)18-15(17-11)12-2-4-13(16)5-3-12/h2-5,10H,6-9H2,1H3.
What are the key properties of 4-[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]morpholine?
4-[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]morpholine has a molecular weight of 334.22 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 755177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).