4-[6-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine

C20H26BrN5O — CID 154883066

IUPAC4-[6-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine
SMILESCc1nc(N2CCOCC2)cc(N2CCN(Cc3cccc(Br)c3)CC2)n1
InChIInChI=1S/C20H26BrN5O/c1-16-22-19(14-20(23-16)26-9-11-27-12-10-26)25-7-5-24(6-8-25)15-17-3-2-4-18(21)13-17/h2-4,13-14H,5-12,15H2,1H3
InChIKeyPEBWVTJLVUWPSM-UHFFFAOYSA-N
MW432.37 g/mol
LogP2.71
Rot. Bonds4

About 4-[6-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine

4-[6-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine (PubChem CID 154883066) has the molecular formula C20H26BrN5O and a molecular weight of 432.37 g/mol. Its IUPAC name is 4-[6-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine
PubChem CID154883066
Molecular FormulaC20H26BrN5O
Molecular Weight432.37 g/mol
Exact Mass431.13
IUPAC Name4-[6-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine
SMILESCc1nc(N2CCOCC2)cc(N2CCN(Cc3cccc(Br)c3)CC2)n1
InChIInChI=1S/C20H26BrN5O/c1-16-22-19(14-20(23-16)26-9-11-27-12-10-26)25-7-5-24(6-8-25)15-17-3-2-4-18(21)13-17/h2-4,13-14H,5-12,15H2,1H3
InChIKeyPEBWVTJLVUWPSM-UHFFFAOYSA-N
XLogP2.71
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.37
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine
CID 155800699
4-[(3-bromophenyl)methyl]morpholine;hydrochloride
CID 17249740
4-[6-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine
CID 146078312
4-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]morpholine
CID 60503694
4-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]morpholine
CID 112869889
4-[2-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 146074332
N-[1-[(3-bromophenyl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
CID 171996210
(4-bromophenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 50748441
4-[4-(3-bromophenyl)piperazin-1-yl]-2,6-dimethylpyrimidine
CID 163356432
2-methyl-4-piperidin-1-yl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine
CID 166605105
4-[4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 146074434
4-[2-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 154580930

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine (CID 154883066) is 4-[6-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine is Cc1nc(N2CCOCC2)cc(N2CCN(Cc3cccc(Br)c3)CC2)n1.
What is the InChIKey of 4-[6-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine?
The InChIKey is PEBWVTJLVUWPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26BrN5O/c1-16-22-19(14-20(23-16)26-9-11-27-12-10-26)25-7-5-24(6-8-25)15-17-3-2-4-18(21)13-17/h2-4,13-14H,5-12,15H2,1H3.
What are the key properties of 4-[6-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine?
4-[6-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine has a molecular weight of 432.37 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 154883066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).