1-(2,3-dihydro-1H-isoindol-5-yl)pyrimidine-2,4-dione

C12H11N3O2 — CID 170350288

IUPAC1-(2,3-dihydro-1H-isoindol-5-yl)pyrimidine-2,4-dione
SMILESO=c1ccn(-c2ccc3c(c2)CNC3)c(=O)[nH]1
InChIInChI=1S/C12H11N3O2/c16-11-3-4-15(12(17)14-11)10-2-1-8-6-13-7-9(8)5-10/h1-5,13H,6-7H2,(H,14,16,17)
InChIKeyBMKZZLBLBGHZGB-UHFFFAOYSA-N
MW229.24 g/mol
LogP0.13
Rot. Bonds1

About 1-(2,3-dihydro-1H-isoindol-5-yl)pyrimidine-2,4-dione

1-(2,3-dihydro-1H-isoindol-5-yl)pyrimidine-2,4-dione (PubChem CID 170350288) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-isoindol-5-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-isoindol-5-yl)pyrimidine-2,4-dione
PubChem CID170350288
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name1-(2,3-dihydro-1H-isoindol-5-yl)pyrimidine-2,4-dione
SMILESO=c1ccn(-c2ccc3c(c2)CNC3)c(=O)[nH]1
InChIInChI=1S/C12H11N3O2/c16-11-3-4-15(12(17)14-11)10-2-1-8-6-13-7-9(8)5-10/h1-5,13H,6-7H2,(H,14,16,17)
InChIKeyBMKZZLBLBGHZGB-UHFFFAOYSA-N
XLogP0.13
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,4-dimethylanilino)-1H-pyrimidine-2,4-dione
CID 737912
3-(4-Hydroxybutyl)-6-(3-ethyl-4-methylanilino)uracil
CID 10448521
2-((Phenylamino)methyl)isoindoline-1,3-dione
CID 241616
6-(3-Ethyl-4-methyl-phenylamino)-3-(3-hydroxy-propyl)-1H-pyrimidine-2,4-dione
CID 509278
3-cyclohexyl-6-[(3,4-dimethylphenyl)amino]pyrimidine-2,4(1H,3H)-dione
CID 3237829
N-(3,4-dimethylphenyl)-1-indolinecarboxamide
CID 6470011
3-(4-Methoxybutyl)-6-(3-ethyl-4-methylanilino)uracil
CID 10088093
3-ethyl-6-(3-ethyl-4-methylanilino)-1H-pyrimidine-2,4-dione
CID 10107347
5-[4-(3-Ethyl-4-methyl-phenylamino)-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl]-pentanenitrile
CID 10172017
3-(3-Cyanopropyl)-6-(3-ethyl-4-methylanilino)uracil
CID 10286421
6-(3-Ethyl-4-methyl-phenylamino)-3-(2-methoxy-ethyl)-1H-pyrimidine-2,4-dione
CID 10542470
6-(3-Ethyl-4-methyl-phenylamino)-3-(2-hydroxy-ethyl)-1H-pyrimidine-2,4-dione
CID 10637172

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-isoindol-5-yl)pyrimidine-2,4-dione?
The IUPAC name of 1-(2,3-dihydro-1H-isoindol-5-yl)pyrimidine-2,4-dione (CID 170350288) is 1-(2,3-dihydro-1H-isoindol-5-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(2,3-dihydro-1H-isoindol-5-yl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(2,3-dihydro-1H-isoindol-5-yl)pyrimidine-2,4-dione is O=c1ccn(-c2ccc3c(c2)CNC3)c(=O)[nH]1.
What is the InChIKey of 1-(2,3-dihydro-1H-isoindol-5-yl)pyrimidine-2,4-dione?
The InChIKey is BMKZZLBLBGHZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c16-11-3-4-15(12(17)14-11)10-2-1-8-6-13-7-9(8)5-10/h1-5,13H,6-7H2,(H,14,16,17).
What are the key properties of 1-(2,3-dihydro-1H-isoindol-5-yl)pyrimidine-2,4-dione?
1-(2,3-dihydro-1H-isoindol-5-yl)pyrimidine-2,4-dione has a molecular weight of 229.24 g/mol, XLogP of 0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-isoindol-5-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 170350288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).