4-[4-(4-bromophenyl)-6-(1H-indol-3-yl)pyrimidin-2-yl]morpholine

C22H19BrN4O — CID 69072137

IUPAC4-[4-(4-bromophenyl)-6-(1H-indol-3-yl)pyrimidin-2-yl]morpholine
SMILESBrc1ccc(-c2cc(-c3c[nH]c4ccccc34)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C22H19BrN4O/c23-16-7-5-15(6-8-16)20-13-21(18-14-24-19-4-2-1-3-17(18)19)26-22(25-20)27-9-11-28-12-10-27/h1-8,13-14,24H,9-12H2
InChIKeyBFMCJXHYJVMGPW-UHFFFAOYSA-N
MW435.33 g/mol
LogP4.89
Rot. Bonds3

About 4-[4-(4-bromophenyl)-6-(1H-indol-3-yl)pyrimidin-2-yl]morpholine

4-[4-(4-bromophenyl)-6-(1H-indol-3-yl)pyrimidin-2-yl]morpholine (PubChem CID 69072137) has the molecular formula C22H19BrN4O and a molecular weight of 435.33 g/mol. Its IUPAC name is 4-[4-(4-bromophenyl)-6-(1H-indol-3-yl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(4-bromophenyl)-6-(1H-indol-3-yl)pyrimidin-2-yl]morpholine
PubChem CID69072137
Molecular FormulaC22H19BrN4O
Molecular Weight435.33 g/mol
Exact Mass434.07
IUPAC Name4-[4-(4-bromophenyl)-6-(1H-indol-3-yl)pyrimidin-2-yl]morpholine
SMILESBrc1ccc(-c2cc(-c3c[nH]c4ccccc34)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C22H19BrN4O/c23-16-7-5-15(6-8-16)20-13-21(18-14-24-19-4-2-1-3-17(18)19)26-22(25-20)27-9-11-28-12-10-27/h1-8,13-14,24H,9-12H2
InChIKeyBFMCJXHYJVMGPW-UHFFFAOYSA-N
XLogP4.89
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.33
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-bromophenyl)-6-(1H-indol-3-yl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-(4-bromophenyl)-6-(1H-indol-3-yl)pyrimidin-2-yl]morpholine (CID 69072137) is 4-[4-(4-bromophenyl)-6-(1H-indol-3-yl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(4-bromophenyl)-6-(1H-indol-3-yl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-(4-bromophenyl)-6-(1H-indol-3-yl)pyrimidin-2-yl]morpholine is Brc1ccc(-c2cc(-c3c[nH]c4ccccc34)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-[4-(4-bromophenyl)-6-(1H-indol-3-yl)pyrimidin-2-yl]morpholine?
The InChIKey is BFMCJXHYJVMGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN4O/c23-16-7-5-15(6-8-16)20-13-21(18-14-24-19-4-2-1-3-17(18)19)26-22(25-20)27-9-11-28-12-10-27/h1-8,13-14,24H,9-12H2.
What are the key properties of 4-[4-(4-bromophenyl)-6-(1H-indol-3-yl)pyrimidin-2-yl]morpholine?
4-[4-(4-bromophenyl)-6-(1H-indol-3-yl)pyrimidin-2-yl]morpholine has a molecular weight of 435.33 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-bromophenyl)-6-(1H-indol-3-yl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 69072137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).