4-[5-bromo-4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine

C22H24BrN5O3S — CID 134148351

IUPAC4-[5-bromo-4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCN(c2nc(N3CCOCC3)ncc2Br)CC1
InChIInChI=1S/C22H24BrN5O3S/c23-20-16-24-22(27-11-13-31-14-12-27)25-21(20)26-7-9-28(10-8-26)32(29,30)19-6-5-17-3-1-2-4-18(17)15-19/h1-6,15-16H,7-14H2
InChIKeyZYJKIIOWFQYSQR-UHFFFAOYSA-N
MW518.44 g/mol
LogP2.74
Rot. Bonds4

About 4-[5-bromo-4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine

4-[5-bromo-4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine (PubChem CID 134148351) has the molecular formula C22H24BrN5O3S and a molecular weight of 518.44 g/mol. Its IUPAC name is 4-[5-bromo-4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-bromo-4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
PubChem CID134148351
Molecular FormulaC22H24BrN5O3S
Molecular Weight518.44 g/mol
Exact Mass517.08
IUPAC Name4-[5-bromo-4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCN(c2nc(N3CCOCC3)ncc2Br)CC1
InChIInChI=1S/C22H24BrN5O3S/c23-20-16-24-22(27-11-13-31-14-12-27)25-21(20)26-7-9-28(10-8-26)32(29,30)19-6-5-17-3-1-2-4-18(17)15-19/h1-6,15-16H,7-14H2
InChIKeyZYJKIIOWFQYSQR-UHFFFAOYSA-N
XLogP2.74
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.44
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-Bromo-4-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine
CID 134131924
5-Bromo-2-chloro-4-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 134144394
4-[5-Bromo-4-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine
CID 134148385
4-[4-(5-Bromo-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylbenzonitrile
CID 134141669
4-[5-Bromo-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine
CID 134143363
4-[5-Bromo-4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine
CID 134144611
4-[5-Bromo-4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine
CID 134145509
4-[5-Bromo-4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine
CID 134147256
5-Bromo-2-chloro-4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine
CID 134151984
2-((1-(Naphthalen-2-ylsulfonyl)piperidin-4-yl)oxy)pyrimidine
CID 71799155
5-bromo-2-[(3S)-1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 129526727
2-[4-(Naphthalene-2-sulfonyl)piperazin-1-yl]pyrimidine
CID 1241437

Frequently Asked Questions

What is the IUPAC name of 4-[5-bromo-4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[5-bromo-4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine (CID 134148351) is 4-[5-bromo-4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[5-bromo-4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[5-bromo-4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine is O=S(=O)(c1ccc2ccccc2c1)N1CCN(c2nc(N3CCOCC3)ncc2Br)CC1.
What is the InChIKey of 4-[5-bromo-4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine?
The InChIKey is ZYJKIIOWFQYSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrN5O3S/c23-20-16-24-22(27-11-13-31-14-12-27)25-21(20)26-7-9-28(10-8-26)32(29,30)19-6-5-17-3-1-2-4-18(17)15-19/h1-6,15-16H,7-14H2.
What are the key properties of 4-[5-bromo-4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine?
4-[5-bromo-4-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine has a molecular weight of 518.44 g/mol, XLogP of 2.74, 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-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 134148351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).