3-(2,4-dimethylbenzene-5-id-1-yl)-1,6-dimethylpyrimidine-2,4-dione;yttrium(3+)

C14H15N2O2Y+2 — CID 23380311

IUPAC3-(2,4-dimethylbenzene-5-id-1-yl)-1,6-dimethylpyrimidine-2,4-dione;yttrium(3+)
SMILESCc1[c-]cc(-n2c(=O)cc(C)n(C)c2=O)c(C)c1.[Y+3]
InChIInChI=1S/C14H15N2O2.Y/c1-9-5-6-12(10(2)7-9)16-13(17)8-11(3)15(4)14(16)18;/h6-8H,1-4H3;/q-1;+3
InChIKeyXIYQEZLVVMXLNK-UHFFFAOYSA-N
MW332.19 g/mol
LogP1.26
Rot. Bonds1

About 3-(2,4-dimethylbenzene-5-id-1-yl)-1,6-dimethylpyrimidine-2,4-dione;yttrium(3+)

3-(2,4-dimethylbenzene-5-id-1-yl)-1,6-dimethylpyrimidine-2,4-dione;yttrium(3+) (PubChem CID 23380311) has the molecular formula C14H15N2O2Y+2 and a molecular weight of 332.19 g/mol. Its IUPAC name is 3-(2,4-dimethylbenzene-5-id-1-yl)-1,6-dimethylpyrimidine-2,4-dione;yttrium(3+).

Molecular Properties

Compound Name3-(2,4-dimethylbenzene-5-id-1-yl)-1,6-dimethylpyrimidine-2,4-dione;yttrium(3+)
PubChem CID23380311
Molecular FormulaC14H15N2O2Y+2
Molecular Weight332.19 g/mol
Exact Mass332.02
IUPAC Name3-(2,4-dimethylbenzene-5-id-1-yl)-1,6-dimethylpyrimidine-2,4-dione;yttrium(3+)
SMILESCc1[c-]cc(-n2c(=O)cc(C)n(C)c2=O)c(C)c1.[Y+3]
InChIInChI=1S/C14H15N2O2.Y/c1-9-5-6-12(10(2)7-9)16-13(17)8-11(3)15(4)14(16)18;/h6-8H,1-4H3;/q-1;+3
InChIKeyXIYQEZLVVMXLNK-UHFFFAOYSA-N
XLogP1.26
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-Ethyl-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
CID 12955129
6-Iso-propyl-1,3-dimethyluracil
CID 58883363
3-(4-Chloro-2-methylbenzene-5-id-1-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione;tungsten
CID 59957660
3-[4-(Iodomethyl)-2-methylbenzene-5-id-1-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione;tungsten
CID 59972583
1,3-Dimethylcycloocta[d]pyrimidine-2,4-dione
CID 91279289
1,3-dimethyl-6-[(E)-oct-4-en-4-yl]pyrimidine-2,4-dione
CID 102163882
1,3-dimethyl-6-[(E)-4-methylpent-2-en-2-yl]pyrimidine-2,4-dione
CID 102163884
6-[(E)-4,4-dimethylpent-2-en-2-yl]-1,3-dimethylpyrimidine-2,4-dione
CID 102163885
6-[(E)-1-[tert-butyl(dimethyl)silyl]prop-1-en-2-yl]-1,3-dimethylpyrimidine-2,4-dione
CID 102163886
3-(4-Chloro-2-methylbenzene-5-id-1-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione;tungsten(2+)
CID 20657567
1,3,5-Trimethyl-6-prop-1-en-2-ylpyrimidine-2,4-dione
CID 12766605
1,3-Dimethyl-6-prop-2-enylpyrimidine-2,4-dione
CID 13692833

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylbenzene-5-id-1-yl)-1,6-dimethylpyrimidine-2,4-dione;yttrium(3+)?
The IUPAC name of 3-(2,4-dimethylbenzene-5-id-1-yl)-1,6-dimethylpyrimidine-2,4-dione;yttrium(3+) (CID 23380311) is 3-(2,4-dimethylbenzene-5-id-1-yl)-1,6-dimethylpyrimidine-2,4-dione;yttrium(3+).
What is the SMILES notation for 3-(2,4-dimethylbenzene-5-id-1-yl)-1,6-dimethylpyrimidine-2,4-dione;yttrium(3+)?
The canonical SMILES for 3-(2,4-dimethylbenzene-5-id-1-yl)-1,6-dimethylpyrimidine-2,4-dione;yttrium(3+) is Cc1[c-]cc(-n2c(=O)cc(C)n(C)c2=O)c(C)c1.[Y+3].
What is the InChIKey of 3-(2,4-dimethylbenzene-5-id-1-yl)-1,6-dimethylpyrimidine-2,4-dione;yttrium(3+)?
The InChIKey is XIYQEZLVVMXLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N2O2.Y/c1-9-5-6-12(10(2)7-9)16-13(17)8-11(3)15(4)14(16)18;/h6-8H,1-4H3;/q-1;+3.
What are the key properties of 3-(2,4-dimethylbenzene-5-id-1-yl)-1,6-dimethylpyrimidine-2,4-dione;yttrium(3+)?
3-(2,4-dimethylbenzene-5-id-1-yl)-1,6-dimethylpyrimidine-2,4-dione;yttrium(3+) has a molecular weight of 332.19 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylbenzene-5-id-1-yl)-1,6-dimethylpyrimidine-2,4-dione;yttrium(3+) is sourced from PubChem (CID 23380311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).