2-[2-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione

C23H28N6O3 — CID 163349554

IUPAC2-[2-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione
SMILESCc1cc(N2CCOCC2)nc(N2CCN(CCN3C(=O)c4ccccc4C3=O)CC2)n1
InChIInChI=1S/C23H28N6O3/c1-17-16-20(27-12-14-32-15-13-27)25-23(24-17)28-9-6-26(7-10-28)8-11-29-21(30)18-4-2-3-5-19(18)22(29)31/h2-5,16H,6-15H2,1H3
InChIKeyYRDZEHXRNXWGIN-UHFFFAOYSA-N
MW436.52 g/mol
LogP1.04
Rot. Bonds5

About 2-[2-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione

2-[2-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione (PubChem CID 163349554) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is 2-[2-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione
PubChem CID163349554
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC Name2-[2-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione
SMILESCc1cc(N2CCOCC2)nc(N2CCN(CCN3C(=O)c4ccccc4C3=O)CC2)n1
InChIInChI=1S/C23H28N6O3/c1-17-16-20(27-12-14-32-15-13-27)25-23(24-17)28-9-6-26(7-10-28)8-11-29-21(30)18-4-2-3-5-19(18)22(29)31/h2-5,16H,6-15H2,1H3
InChIKeyYRDZEHXRNXWGIN-UHFFFAOYSA-N
XLogP1.04
TPSA82.11 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[2-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 122333532
4-[4-methyl-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 171326637
4-[4-methyl-6-[4-[2-(6-methyl-2-pyridinyl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 171334151
4-[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112912286
4-[6-methyl-2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 166604816
4-[2-(4-ethylsulfonylpiperazin-1-yl)-6-methylpyrimidin-4-yl]morpholine
CID 27656202
4-[4-methyl-6-[4-[2-(1-methyltriazol-4-yl)ethyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 171333986
4-[6-methyl-2-(4-quinoxalin-2-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine
CID 154883227
1-[[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methyl]cyclobutan-1-ol
CID 163351063
4-[2-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 154580930
4-[6-methyl-2-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 122333660
[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 56699579

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione (CID 163349554) is 2-[2-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione is Cc1cc(N2CCOCC2)nc(N2CCN(CCN3C(=O)c4ccccc4C3=O)CC2)n1.
What is the InChIKey of 2-[2-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione?
The InChIKey is YRDZEHXRNXWGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-17-16-20(27-12-14-32-15-13-27)25-23(24-17)28-9-6-26(7-10-28)8-11-29-21(30)18-4-2-3-5-19(18)22(29)31/h2-5,16H,6-15H2,1H3.
What are the key properties of 2-[2-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione?
2-[2-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione has a molecular weight of 436.52 g/mol, XLogP of 1.04, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 163349554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).