4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine

C20H25N5O3 — CID 112886405

IUPAC4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
SMILESc1cc(N2CCOCC2)nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)n1
InChIInChI=1S/C20H25N5O3/c1-2-17-18(28-15-27-17)13-16(1)14-23-5-7-25(8-6-23)20-21-4-3-19(22-20)24-9-11-26-12-10-24/h1-4,13H,5-12,14-15H2
InChIKeyYLVILUZZXMDQGY-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.36
Rot. Bonds4

About 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine

4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine (PubChem CID 112886405) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
PubChem CID112886405
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
SMILESc1cc(N2CCOCC2)nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)n1
InChIInChI=1S/C20H25N5O3/c1-2-17-18(28-15-27-17)13-16(1)14-23-5-7-25(8-6-23)20-21-4-3-19(22-20)24-9-11-26-12-10-24/h1-4,13H,5-12,14-15H2
InChIKeyYLVILUZZXMDQGY-UHFFFAOYSA-N
XLogP1.36
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-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

Related Compounds

4-[4-(4-benzylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886571
4-[4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 75450338
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine;chloride;hydrate
CID 45114229
4-[4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 146074434
4-[4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 154575832
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-thiophen-2-ylpyrimidine
CID 171989105
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-propylpyrimidin-2-amine
CID 112881940
4-[2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 165433606
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-butyl-N-methylpyrimidin-4-amine
CID 112898084
4-[4-[4-[(2-methylphenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 154575674
N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112887623
4-[2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 154829699

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine (CID 112886405) is 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine is c1cc(N2CCOCC2)nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)n1.
What is the InChIKey of 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
The InChIKey is YLVILUZZXMDQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-2-17-18(28-15-27-17)13-16(1)14-23-5-7-25(8-6-23)20-21-4-3-19(22-20)24-9-11-26-12-10-24/h1-4,13H,5-12,14-15H2.
What are the key properties of 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine has a molecular weight of 383.45 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 112886405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).