2-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]isoindole-1,3-dione

C21H19N5O2 — CID 168519001

IUPAC2-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]isoindole-1,3-dione
SMILESCc1cc(N(C)C)nc(Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)n1
InChIInChI=1S/C21H19N5O2/c1-13-12-18(25(2)3)24-21(22-13)23-14-8-10-15(11-9-14)26-19(27)16-6-4-5-7-17(16)20(26)28/h4-12H,1-3H3,(H,22,23,24)
InChIKeyCMHRLSZWSUTCRU-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.40
Rot. Bonds4

About 2-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]isoindole-1,3-dione

2-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]isoindole-1,3-dione (PubChem CID 168519001) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 2-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]isoindole-1,3-dione
PubChem CID168519001
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name2-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]isoindole-1,3-dione
SMILESCc1cc(N(C)C)nc(Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)n1
InChIInChI=1S/C21H19N5O2/c1-13-12-18(25(2)3)24-21(22-13)23-14-8-10-15(11-9-14)26-19(27)16-6-4-5-7-17(16)20(26)28/h4-12H,1-3H3,(H,22,23,24)
InChIKeyCMHRLSZWSUTCRU-UHFFFAOYSA-N
XLogP3.40
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]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

N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 108765885
2-[4-[(4,6-dimethylpyrimidin-2-yl)-methylamino]phenyl]isoindole-1,3-dione
CID 168516521
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-phenoxybenzamide
CID 122287304
1-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-(3,4-dimethylphenyl)urea
CID 122287217
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-methylbenzamide
CID 27537410
N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 122288373
4-N,6-dimethyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-phenylpyrimidine-2,4-diamine
CID 112927535
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-methylthiadiazole-5-carboxamide
CID 122287247
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3,4-dimethylbenzenesulfonamide
CID 27510283
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]cyclopentanecarboxamide
CID 121032303
(2S)-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 122287406
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 632686

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]isoindole-1,3-dione (CID 168519001) is 2-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]isoindole-1,3-dione is Cc1cc(N(C)C)nc(Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)n1.
What is the InChIKey of 2-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]isoindole-1,3-dione?
The InChIKey is CMHRLSZWSUTCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-13-12-18(25(2)3)24-21(22-13)23-14-8-10-15(11-9-14)26-19(27)16-6-4-5-7-17(16)20(26)28/h4-12H,1-3H3,(H,22,23,24).
What are the key properties of 2-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]isoindole-1,3-dione?
2-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]isoindole-1,3-dione has a molecular weight of 373.42 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]isoindole-1,3-dione is sourced from PubChem (CID 168519001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).