2-(2,6-dioxopiperidin-3-yl)-4-[[[4-(methylaminomethyl)-6-oxo-1H-pyrimidin-2-yl]amino]methyl]isoindole-1,3-dione

C20H20N6O5 — CID 167723637

IUPAC2-(2,6-dioxopiperidin-3-yl)-4-[[[4-(methylaminomethyl)-6-oxo-1H-pyrimidin-2-yl]amino]methyl]isoindole-1,3-dione
SMILESCNCc1cc(=O)[nH]c(NCc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)n1
InChIInChI=1S/C20H20N6O5/c1-21-9-11-7-15(28)25-20(23-11)22-8-10-3-2-4-12-16(10)19(31)26(18(12)30)13-5-6-14(27)24-17(13)29/h2-4,7,13,21H,5-6,8-9H2,1H3,(H,24,27,29)(H2,22,23,25,28)
InChIKeyLGPHBVHPSDYDDB-UHFFFAOYSA-N
MW424.42 g/mol
LogP-0.50
Rot. Bonds6

About 2-(2,6-dioxopiperidin-3-yl)-4-[[[4-(methylaminomethyl)-6-oxo-1H-pyrimidin-2-yl]amino]methyl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-[[[4-(methylaminomethyl)-6-oxo-1H-pyrimidin-2-yl]amino]methyl]isoindole-1,3-dione (PubChem CID 167723637) has the molecular formula C20H20N6O5 and a molecular weight of 424.42 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-[[[4-(methylaminomethyl)-6-oxo-1H-pyrimidin-2-yl]amino]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-4-[[[4-(methylaminomethyl)-6-oxo-1H-pyrimidin-2-yl]amino]methyl]isoindole-1,3-dione
PubChem CID167723637
Molecular FormulaC20H20N6O5
Molecular Weight424.42 g/mol
Exact Mass424.15
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-[[[4-(methylaminomethyl)-6-oxo-1H-pyrimidin-2-yl]amino]methyl]isoindole-1,3-dione
SMILESCNCc1cc(=O)[nH]c(NCc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)n1
InChIInChI=1S/C20H20N6O5/c1-21-9-11-7-15(28)25-20(23-11)22-8-10-3-2-4-12-16(10)19(31)26(18(12)30)13-5-6-14(27)24-17(13)29/h2-4,7,13,21H,5-6,8-9H2,1H3,(H,24,27,29)(H2,22,23,25,28)
InChIKeyLGPHBVHPSDYDDB-UHFFFAOYSA-N
XLogP-0.50
TPSA153.36 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.42
LogP ≤ 5-0.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-(2,6-dioxopiperidin-3-yl)-4-[[[4-(methylaminomethyl)-6-oxo-1H-pyrimidin-2-yl]amino]methyl]isoindole-1,3-dione 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-[[(5-amino-1-methylpyrazol-3-yl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167739086
4-[[[3-(aminomethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167739341
N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]cyclopropanecarboxamide
CID 10155135
4-[[4-[(1S)-1-aminoethyl]anilino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167742268
2-(2,6-dioxopiperidin-3-yl)-4-[11-(methylamino)undecyl]isoindole-1,3-dione
CID 167194550
4-(chloromethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 168870811
2-(2,6-dioxopiperidin-3-yl)-4-[[[1-(methylamino)-3-phenylpropan-2-yl]amino]methyl]isoindole-1,3-dione
CID 167723133
N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]-2-naphthalen-1-ylacetamide
CID 58307176
4-[[[4-(azetidin-3-yl)-6-methoxy-1,3,5-triazin-2-yl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167721419
4-[[4-(2-aminoethyl)anilino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167737085
2-(2,6-dioxopiperidin-3-yl)-4-[(1,2,3,4-tetrahydroisoquinolin-7-ylamino)methyl]isoindole-1,3-dione
CID 167727601
2-(2,6-dioxopiperidin-3-yl)-4-[[(5-pyrrolidin-3-yl-1H-1,2,4-triazol-3-yl)amino]methyl]isoindole-1,3-dione
CID 167722892

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[[[4-(methylaminomethyl)-6-oxo-1H-pyrimidin-2-yl]amino]methyl]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[[[4-(methylaminomethyl)-6-oxo-1H-pyrimidin-2-yl]amino]methyl]isoindole-1,3-dione (CID 167723637) is 2-(2,6-dioxopiperidin-3-yl)-4-[[[4-(methylaminomethyl)-6-oxo-1H-pyrimidin-2-yl]amino]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-[[[4-(methylaminomethyl)-6-oxo-1H-pyrimidin-2-yl]amino]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-[[[4-(methylaminomethyl)-6-oxo-1H-pyrimidin-2-yl]amino]methyl]isoindole-1,3-dione is CNCc1cc(=O)[nH]c(NCc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)n1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-[[[4-(methylaminomethyl)-6-oxo-1H-pyrimidin-2-yl]amino]methyl]isoindole-1,3-dione?
The InChIKey is LGPHBVHPSDYDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O5/c1-21-9-11-7-15(28)25-20(23-11)22-8-10-3-2-4-12-16(10)19(31)26(18(12)30)13-5-6-14(27)24-17(13)29/h2-4,7,13,21H,5-6,8-9H2,1H3,(H,24,27,29)(H2,22,23,25,28).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-[[[4-(methylaminomethyl)-6-oxo-1H-pyrimidin-2-yl]amino]methyl]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-4-[[[4-(methylaminomethyl)-6-oxo-1H-pyrimidin-2-yl]amino]methyl]isoindole-1,3-dione has a molecular weight of 424.42 g/mol, XLogP of -0.50, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-4-[[[4-(methylaminomethyl)-6-oxo-1H-pyrimidin-2-yl]amino]methyl]isoindole-1,3-dione is sourced from PubChem (CID 167723637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).