4-[5-bromo-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine

C19H24BrN5O3S — CID 134143363

IUPAC4-[5-bromo-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3nc(N4CCOCC4)ncc3Br)CC2)cc1
InChIInChI=1S/C19H24BrN5O3S/c1-15-2-4-16(5-3-15)29(26,27)25-8-6-23(7-9-25)18-17(20)14-21-19(22-18)24-10-12-28-13-11-24/h2-5,14H,6-13H2,1H3
InChIKeyYIDKYUQDACHIEO-UHFFFAOYSA-N
MW482.40 g/mol
LogP1.90
Rot. Bonds4

About 4-[5-bromo-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine

4-[5-bromo-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine (PubChem CID 134143363) has the molecular formula C19H24BrN5O3S and a molecular weight of 482.40 g/mol. Its IUPAC name is 4-[5-bromo-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-bromo-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine
PubChem CID134143363
Molecular FormulaC19H24BrN5O3S
Molecular Weight482.40 g/mol
Exact Mass481.08
IUPAC Name4-[5-bromo-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine
SMILESCc1ccc(S(=O)(=O)N2CCN(c3nc(N4CCOCC4)ncc3Br)CC2)cc1
InChIInChI=1S/C19H24BrN5O3S/c1-15-2-4-16(5-3-15)29(26,27)25-8-6-23(7-9-25)18-17(20)14-21-19(22-18)24-10-12-28-13-11-24/h2-5,14H,6-13H2,1H3
InChIKeyYIDKYUQDACHIEO-UHFFFAOYSA-N
XLogP1.90
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.40
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-bromo-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[5-bromo-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine (CID 134143363) is 4-[5-bromo-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[5-bromo-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[5-bromo-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine is Cc1ccc(S(=O)(=O)N2CCN(c3nc(N4CCOCC4)ncc3Br)CC2)cc1.
What is the InChIKey of 4-[5-bromo-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine?
The InChIKey is YIDKYUQDACHIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN5O3S/c1-15-2-4-16(5-3-15)29(26,27)25-8-6-23(7-9-25)18-17(20)14-21-19(22-18)24-10-12-28-13-11-24/h2-5,14H,6-13H2,1H3.
What are the key properties of 4-[5-bromo-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine?
4-[5-bromo-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine has a molecular weight of 482.40 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-bromo-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 134143363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).