5-[(2-chloro-6-methylpyrimidin-4-yl)amino]isoindole-1,3-dione

C13H9ClN4O2 — CID 62476432

IUPAC5-[(2-chloro-6-methylpyrimidin-4-yl)amino]isoindole-1,3-dione
SMILESCc1cc(Nc2ccc3c(c2)C(=O)NC3=O)nc(Cl)n1
InChIInChI=1S/C13H9ClN4O2/c1-6-4-10(17-13(14)15-6)16-7-2-3-8-9(5-7)12(20)18-11(8)19/h2-5H,1H3,(H,15,16,17)(H,18,19,20)
InChIKeyXWYYWXVLBQRNQD-UHFFFAOYSA-N
MW288.69 g/mol
LogP2.07
Rot. Bonds2

About 5-[(2-chloro-6-methylpyrimidin-4-yl)amino]isoindole-1,3-dione

5-[(2-chloro-6-methylpyrimidin-4-yl)amino]isoindole-1,3-dione (PubChem CID 62476432) has the molecular formula C13H9ClN4O2 and a molecular weight of 288.69 g/mol. Its IUPAC name is 5-[(2-chloro-6-methylpyrimidin-4-yl)amino]isoindole-1,3-dione.

Molecular Properties

Compound Name5-[(2-chloro-6-methylpyrimidin-4-yl)amino]isoindole-1,3-dione
PubChem CID62476432
Molecular FormulaC13H9ClN4O2
Molecular Weight288.69 g/mol
Exact Mass288.04
IUPAC Name5-[(2-chloro-6-methylpyrimidin-4-yl)amino]isoindole-1,3-dione
SMILESCc1cc(Nc2ccc3c(c2)C(=O)NC3=O)nc(Cl)n1
InChIInChI=1S/C13H9ClN4O2/c1-6-4-10(17-13(14)15-6)16-7-2-3-8-9(5-7)12(20)18-11(8)19/h2-5H,1H3,(H,15,16,17)(H,18,19,20)
InChIKeyXWYYWXVLBQRNQD-UHFFFAOYSA-N
XLogP2.07
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.69
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-chloro-5-methylpyrimidin-4-yl)amino]isoindole-1,3-dione
CID 79076256
5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]isoindole-1,3-dione
CID 62858487
1-N-(2-chloro-6-methylpyrimidin-4-yl)-4-N-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine
CID 108777581
2-chloro-N-(3,5-dichlorophenyl)-6-methylpyrimidin-4-amine
CID 63548876
5-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]isoindole-1,3-dione
CID 63272049
5-[(2-aminopyrimidin-4-yl)amino]isoindole-1,3-dione
CID 80760234
5-[(2-chloro-5-fluoropyrimidin-4-yl)amino]isoindole-1,3-dione
CID 79081237
5-[[6-(ethylamino)pyrimidin-4-yl]amino]isoindole-1,3-dione
CID 80757984
5-[(3-bromo-4-methyl-2-pyridinyl)amino]isoindole-1,3-dione
CID 106876452
[4-[(2-chloro-6-methylpyrimidin-4-yl)amino]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 108776754
2-chloro-6-methyl-N-propan-2-ylpyrimidin-4-amine
CID 53385561
2-chloro-6-methyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]pyrimidin-4-amine
CID 108779624

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-methylpyrimidin-4-yl)amino]isoindole-1,3-dione?
The IUPAC name of 5-[(2-chloro-6-methylpyrimidin-4-yl)amino]isoindole-1,3-dione (CID 62476432) is 5-[(2-chloro-6-methylpyrimidin-4-yl)amino]isoindole-1,3-dione.
What is the SMILES notation for 5-[(2-chloro-6-methylpyrimidin-4-yl)amino]isoindole-1,3-dione?
The canonical SMILES for 5-[(2-chloro-6-methylpyrimidin-4-yl)amino]isoindole-1,3-dione is Cc1cc(Nc2ccc3c(c2)C(=O)NC3=O)nc(Cl)n1.
What is the InChIKey of 5-[(2-chloro-6-methylpyrimidin-4-yl)amino]isoindole-1,3-dione?
The InChIKey is XWYYWXVLBQRNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O2/c1-6-4-10(17-13(14)15-6)16-7-2-3-8-9(5-7)12(20)18-11(8)19/h2-5H,1H3,(H,15,16,17)(H,18,19,20).
What are the key properties of 5-[(2-chloro-6-methylpyrimidin-4-yl)amino]isoindole-1,3-dione?
5-[(2-chloro-6-methylpyrimidin-4-yl)amino]isoindole-1,3-dione has a molecular weight of 288.69 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-6-methylpyrimidin-4-yl)amino]isoindole-1,3-dione is sourced from PubChem (CID 62476432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).