4-[4-[2-(5-bromo-1H-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine

C18H19BrN4O — CID 162423101

IUPAC4-[4-[2-(5-bromo-1H-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine
SMILESBrc1ccc2[nH]cc(CCc3ccnc(N4CCOCC4)n3)c2c1
InChIInChI=1S/C18H19BrN4O/c19-14-2-4-17-16(11-14)13(12-21-17)1-3-15-5-6-20-18(22-15)23-7-9-24-10-8-23/h2,4-6,11-12,21H,1,3,7-10H2
InChIKeyLPEIQZYVQYBIQO-UHFFFAOYSA-N
MW387.28 g/mol
LogP3.34
Rot. Bonds4

About 4-[4-[2-(5-bromo-1H-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine

4-[4-[2-(5-bromo-1H-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine (PubChem CID 162423101) has the molecular formula C18H19BrN4O and a molecular weight of 387.28 g/mol. Its IUPAC name is 4-[4-[2-(5-bromo-1H-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-[2-(5-bromo-1H-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine
PubChem CID162423101
Molecular FormulaC18H19BrN4O
Molecular Weight387.28 g/mol
Exact Mass386.07
IUPAC Name4-[4-[2-(5-bromo-1H-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine
SMILESBrc1ccc2[nH]cc(CCc3ccnc(N4CCOCC4)n3)c2c1
InChIInChI=1S/C18H19BrN4O/c19-14-2-4-17-16(11-14)13(12-21-17)1-3-15-5-6-20-18(22-15)23-7-9-24-10-8-23/h2,4-6,11-12,21H,1,3,7-10H2
InChIKeyLPEIQZYVQYBIQO-UHFFFAOYSA-N
XLogP3.34
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(5-bromo-1H-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-[2-(5-bromo-1H-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine (CID 162423101) is 4-[4-[2-(5-bromo-1H-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-[2-(5-bromo-1H-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-[2-(5-bromo-1H-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine is Brc1ccc2[nH]cc(CCc3ccnc(N4CCOCC4)n3)c2c1.
What is the InChIKey of 4-[4-[2-(5-bromo-1H-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine?
The InChIKey is LPEIQZYVQYBIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4O/c19-14-2-4-17-16(11-14)13(12-21-17)1-3-15-5-6-20-18(22-15)23-7-9-24-10-8-23/h2,4-6,11-12,21H,1,3,7-10H2.
What are the key properties of 4-[4-[2-(5-bromo-1H-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine?
4-[4-[2-(5-bromo-1H-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine has a molecular weight of 387.28 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(5-bromo-1H-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 162423101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).