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

C20H26BrN5O — CID 155800699

IUPAC4-[6-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine
SMILESCc1nc(N2CCOCC2)cc(N2CCN(Cc3ccc(Br)cc3)CC2)n1
InChIInChI=1S/C20H26BrN5O/c1-16-22-19(14-20(23-16)26-10-12-27-13-11-26)25-8-6-24(7-9-25)15-17-2-4-18(21)5-3-17/h2-5,14H,6-13,15H2,1H3
InChIKeyGRAADPDHBBLGIV-UHFFFAOYSA-N
MW432.37 g/mol
LogP2.71
Rot. Bonds4

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

4-[6-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine (PubChem CID 155800699) has the molecular formula C20H26BrN5O and a molecular weight of 432.37 g/mol. Its IUPAC name is 4-[6-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine
PubChem CID155800699
Molecular FormulaC20H26BrN5O
Molecular Weight432.37 g/mol
Exact Mass431.13
IUPAC Name4-[6-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine
SMILESCc1nc(N2CCOCC2)cc(N2CCN(Cc3ccc(Br)cc3)CC2)n1
InChIInChI=1S/C20H26BrN5O/c1-16-22-19(14-20(23-16)26-10-12-27-13-11-26)25-8-6-24(7-9-25)15-17-2-4-18(21)5-3-17/h2-5,14H,6-13,15H2,1H3
InChIKeyGRAADPDHBBLGIV-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

Analyze 4-[6-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]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-[6-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine (CID 155800699) is 4-[6-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine is Cc1nc(N2CCOCC2)cc(N2CCN(Cc3ccc(Br)cc3)CC2)n1.
What is the InChIKey of 4-[6-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine?
The InChIKey is GRAADPDHBBLGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26BrN5O/c1-16-22-19(14-20(23-16)26-10-12-27-13-11-26)25-8-6-24(7-9-25)15-17-2-4-18(21)5-3-17/h2-5,14H,6-13,15H2,1H3.
What are the key properties of 4-[6-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine?
4-[6-[4-[(4-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-[(4-bromophenyl)methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 155800699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).