benzene;3-(2,4-dimethylbenzene-5-id-1-yl)-6-methyl-1H-pyrimidine-2,4-dione;yttrium(3+)

C19H18N2O2Y+ — CID 23380297

IUPACbenzene;3-(2,4-dimethylbenzene-5-id-1-yl)-6-methyl-1H-pyrimidine-2,4-dione;yttrium(3+)
SMILESCc1[c-]cc(-n2c(=O)cc(C)[nH]c2=O)c(C)c1.[Y+3].[c-]1ccccc1
InChIInChI=1S/C13H13N2O2.C6H5.Y/c1-8-4-5-11(9(2)6-8)15-12(16)7-10(3)14-13(15)17;1-2-4-6-5-3-1;/h5-7H,1-3H3,(H,14,17);1-5H;/q2*-1;+3
InChIKeyALPIJSMDRUCBSD-UHFFFAOYSA-N
MW395.27 g/mol
LogP2.74
Rot. Bonds1

About benzene;3-(2,4-dimethylbenzene-5-id-1-yl)-6-methyl-1H-pyrimidine-2,4-dione;yttrium(3+)

benzene;3-(2,4-dimethylbenzene-5-id-1-yl)-6-methyl-1H-pyrimidine-2,4-dione;yttrium(3+) (PubChem CID 23380297) has the molecular formula C19H18N2O2Y+ and a molecular weight of 395.27 g/mol. Its IUPAC name is benzene;3-(2,4-dimethylbenzene-5-id-1-yl)-6-methyl-1H-pyrimidine-2,4-dione;yttrium(3+).

Molecular Properties

Compound Namebenzene;3-(2,4-dimethylbenzene-5-id-1-yl)-6-methyl-1H-pyrimidine-2,4-dione;yttrium(3+)
PubChem CID23380297
Molecular FormulaC19H18N2O2Y+
Molecular Weight395.27 g/mol
Exact Mass395.04
IUPAC Namebenzene;3-(2,4-dimethylbenzene-5-id-1-yl)-6-methyl-1H-pyrimidine-2,4-dione;yttrium(3+)
SMILESCc1[c-]cc(-n2c(=O)cc(C)[nH]c2=O)c(C)c1.[Y+3].[c-]1ccccc1
InChIInChI=1S/C13H13N2O2.C6H5.Y/c1-8-4-5-11(9(2)6-8)15-12(16)7-10(3)14-13(15)17;1-2-4-6-5-3-1;/h5-7H,1-3H3,(H,14,17);1-5H;/q2*-1;+3
InChIKeyALPIJSMDRUCBSD-UHFFFAOYSA-N
XLogP2.74
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.27
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze benzene;3-(2,4-dimethylbenzene-5-id-1-yl)-6-methyl-1H-pyrimidine-2,4-dione;yttrium(3+) with MolForge

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Related Compounds

3-(3-amino-4-methylbenzene-6-id-1-yl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione;yttrium
CID 58858647
7-Fluoro-5,8-dimethylpyrido[1,2-c]pyrimidine-1,3-dione
CID 69937821
Benzene;3-(2,4-dimethylbenzene-5-id-1-yl)-1,6-dimethylpyrimidine-2,4-dione;yttrium
CID 59873180
benzene;3-(2,4-dimethylbenzene-5-id-1-yl)-6-methyl-1H-pyrimidine-2,4-dione;yttrium
CID 59873181
6-methyl-5-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione
CID 89271437
6-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione
CID 143465382
5-[(1Z)-buta-1,3-dienyl]-6-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione
CID 143887401
6-[(3E)-hexa-1,3,5-trien-3-yl]-1-methylpyrimidine-2,4-dione
CID 145108436
1-Cyclohexa-1,5-dien-1-yl-6-methylpyrimidine-2,4-dione
CID 145128453
benzene;carbanide;3-(2,4-dimethylbenzene-5-id-1-yl)-6-methyl-1H-pyrimidine-2,4-dione;ethane;methyl propanoate;tungsten(2+);yttrium
CID 160245191
3-[(1E,3Z)-1-amino-4-methyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-yl]-6,7-dimethyl-1,9-dihydrocyclohepta[d]pyrimidine-2,4-dione
CID 166085943
Benzene;3-(2,4-dimethylbenzene-5-id-1-yl)-1,6-dimethylpyrimidine-2,4-dione;yttrium(3+)
CID 23380309

Frequently Asked Questions

What is the IUPAC name of benzene;3-(2,4-dimethylbenzene-5-id-1-yl)-6-methyl-1H-pyrimidine-2,4-dione;yttrium(3+)?
The IUPAC name of benzene;3-(2,4-dimethylbenzene-5-id-1-yl)-6-methyl-1H-pyrimidine-2,4-dione;yttrium(3+) (CID 23380297) is benzene;3-(2,4-dimethylbenzene-5-id-1-yl)-6-methyl-1H-pyrimidine-2,4-dione;yttrium(3+).
What is the SMILES notation for benzene;3-(2,4-dimethylbenzene-5-id-1-yl)-6-methyl-1H-pyrimidine-2,4-dione;yttrium(3+)?
The canonical SMILES for benzene;3-(2,4-dimethylbenzene-5-id-1-yl)-6-methyl-1H-pyrimidine-2,4-dione;yttrium(3+) is Cc1[c-]cc(-n2c(=O)cc(C)[nH]c2=O)c(C)c1.[Y+3].[c-]1ccccc1.
What is the InChIKey of benzene;3-(2,4-dimethylbenzene-5-id-1-yl)-6-methyl-1H-pyrimidine-2,4-dione;yttrium(3+)?
The InChIKey is ALPIJSMDRUCBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N2O2.C6H5.Y/c1-8-4-5-11(9(2)6-8)15-12(16)7-10(3)14-13(15)17;1-2-4-6-5-3-1;/h5-7H,1-3H3,(H,14,17);1-5H;/q2*-1;+3.
What are the key properties of benzene;3-(2,4-dimethylbenzene-5-id-1-yl)-6-methyl-1H-pyrimidine-2,4-dione;yttrium(3+)?
benzene;3-(2,4-dimethylbenzene-5-id-1-yl)-6-methyl-1H-pyrimidine-2,4-dione;yttrium(3+) has a molecular weight of 395.27 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;3-(2,4-dimethylbenzene-5-id-1-yl)-6-methyl-1H-pyrimidine-2,4-dione;yttrium(3+) is sourced from PubChem (CID 23380297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).