4-[2-(5-bromopyrimidin-2-yl)sulfanylethyl]morpholine

C10H14BrN3OS — CID 75392958

IUPAC4-[2-(5-bromopyrimidin-2-yl)sulfanylethyl]morpholine
SMILESBrc1cnc(SCCN2CCOCC2)nc1
InChIInChI=1S/C10H14BrN3OS/c11-9-7-12-10(13-8-9)16-6-3-14-1-4-15-5-2-14/h7-8H,1-6H2
InChIKeyYXEXKAAAAVMQBH-UHFFFAOYSA-N
MW304.21 g/mol
LogP1.66
Rot. Bonds4

About 4-[2-(5-bromopyrimidin-2-yl)sulfanylethyl]morpholine

4-[2-(5-bromopyrimidin-2-yl)sulfanylethyl]morpholine (PubChem CID 75392958) has the molecular formula C10H14BrN3OS and a molecular weight of 304.21 g/mol. Its IUPAC name is 4-[2-(5-bromopyrimidin-2-yl)sulfanylethyl]morpholine.

Molecular Properties

Compound Name4-[2-(5-bromopyrimidin-2-yl)sulfanylethyl]morpholine
PubChem CID75392958
Molecular FormulaC10H14BrN3OS
Molecular Weight304.21 g/mol
Exact Mass303.00
IUPAC Name4-[2-(5-bromopyrimidin-2-yl)sulfanylethyl]morpholine
SMILESBrc1cnc(SCCN2CCOCC2)nc1
InChIInChI=1S/C10H14BrN3OS/c11-9-7-12-10(13-8-9)16-6-3-14-1-4-15-5-2-14/h7-8H,1-6H2
InChIKeyYXEXKAAAAVMQBH-UHFFFAOYSA-N
XLogP1.66
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[2-(5-bromopyrimidin-2-yl)sulfanylethyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-bromopyrimidin-2-yl)sulfanylethyl]morpholine?
The IUPAC name of 4-[2-(5-bromopyrimidin-2-yl)sulfanylethyl]morpholine (CID 75392958) is 4-[2-(5-bromopyrimidin-2-yl)sulfanylethyl]morpholine.
What is the SMILES notation for 4-[2-(5-bromopyrimidin-2-yl)sulfanylethyl]morpholine?
The canonical SMILES for 4-[2-(5-bromopyrimidin-2-yl)sulfanylethyl]morpholine is Brc1cnc(SCCN2CCOCC2)nc1.
What is the InChIKey of 4-[2-(5-bromopyrimidin-2-yl)sulfanylethyl]morpholine?
The InChIKey is YXEXKAAAAVMQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3OS/c11-9-7-12-10(13-8-9)16-6-3-14-1-4-15-5-2-14/h7-8H,1-6H2.
What are the key properties of 4-[2-(5-bromopyrimidin-2-yl)sulfanylethyl]morpholine?
4-[2-(5-bromopyrimidin-2-yl)sulfanylethyl]morpholine has a molecular weight of 304.21 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-bromopyrimidin-2-yl)sulfanylethyl]morpholine is sourced from PubChem (CID 75392958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).