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

C20H20N2O2Y+ — CID 23380309

IUPACbenzene;3-(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].[c-]1ccccc1
InChIInChI=1S/C14H15N2O2.C6H5.Y/c1-9-5-6-12(10(2)7-9)16-13(17)8-11(3)15(4)14(16)18;1-2-4-6-5-3-1;/h6-8H,1-4H3;1-5H;/q2*-1;+3
InChIKeyFDTRBNYAKASUDF-UHFFFAOYSA-N
MW409.30 g/mol
LogP2.75
Rot. Bonds1

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

benzene;3-(2,4-dimethylbenzene-5-id-1-yl)-1,6-dimethylpyrimidine-2,4-dione;yttrium(3+) (PubChem CID 23380309) has the molecular formula C20H20N2O2Y+ and a molecular weight of 409.30 g/mol. Its IUPAC name is benzene;3-(2,4-dimethylbenzene-5-id-1-yl)-1,6-dimethylpyrimidine-2,4-dione;yttrium(3+).

Molecular Properties

Compound Namebenzene;3-(2,4-dimethylbenzene-5-id-1-yl)-1,6-dimethylpyrimidine-2,4-dione;yttrium(3+)
PubChem CID23380309
Molecular FormulaC20H20N2O2Y+
Molecular Weight409.30 g/mol
Exact Mass409.06
IUPAC Namebenzene;3-(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].[c-]1ccccc1
InChIInChI=1S/C14H15N2O2.C6H5.Y/c1-9-5-6-12(10(2)7-9)16-13(17)8-11(3)15(4)14(16)18;1-2-4-6-5-3-1;/h6-8H,1-4H3;1-5H;/q2*-1;+3
InChIKeyFDTRBNYAKASUDF-UHFFFAOYSA-N
XLogP2.75
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.30
LogP ≤ 52.75
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

1,3-Dimethylcycloocta[d]pyrimidine-2,4-dione
CID 91279289
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
2,7-Di(propan-2-yl)pyrido[1,2-c]pyrimidine-1,3-dione
CID 58748047
3-(2-fluoro-4-methylbenzene-5-id-1-yl)-1,6-dimethylpyrimidine-2,4-dione;3H-pyridin-3-ide;yttrium
CID 59045423
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
3-(2,4-Dimethylbenzene-5-id-1-yl)-1,6-dimethylpyrimidine-2,4-dione;yttrium
CID 59873183
3-[(dimethylamino)methyl]-1,6-dimethyl-5-[(E)-prop-1-enyl]pyrimidine-2,4-dione
CID 59912775
3-(2,4-Dimethylbenzene-5-id-1-yl)-1,5,6-trimethyl-2-methylidenepyrimidin-4-one;tungsten
CID 59957632
3-(2,4-Dimethylbenzene-5-id-1-yl)-1,5,6-trimethylpyrimidine-2,4-dione;tungsten
CID 59957637
2,7-Dimethylpyrido[1,2-c]pyrimidine-1,3-dione
CID 67558264

Frequently Asked Questions

What is the IUPAC name of benzene;3-(2,4-dimethylbenzene-5-id-1-yl)-1,6-dimethylpyrimidine-2,4-dione;yttrium(3+)?
The IUPAC name of benzene;3-(2,4-dimethylbenzene-5-id-1-yl)-1,6-dimethylpyrimidine-2,4-dione;yttrium(3+) (CID 23380309) is benzene;3-(2,4-dimethylbenzene-5-id-1-yl)-1,6-dimethylpyrimidine-2,4-dione;yttrium(3+).
What is the SMILES notation for benzene;3-(2,4-dimethylbenzene-5-id-1-yl)-1,6-dimethylpyrimidine-2,4-dione;yttrium(3+)?
The canonical SMILES for benzene;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].[c-]1ccccc1.
What is the InChIKey of benzene;3-(2,4-dimethylbenzene-5-id-1-yl)-1,6-dimethylpyrimidine-2,4-dione;yttrium(3+)?
The InChIKey is FDTRBNYAKASUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N2O2.C6H5.Y/c1-9-5-6-12(10(2)7-9)16-13(17)8-11(3)15(4)14(16)18;1-2-4-6-5-3-1;/h6-8H,1-4H3;1-5H;/q2*-1;+3.
What are the key properties of benzene;3-(2,4-dimethylbenzene-5-id-1-yl)-1,6-dimethylpyrimidine-2,4-dione;yttrium(3+)?
benzene;3-(2,4-dimethylbenzene-5-id-1-yl)-1,6-dimethylpyrimidine-2,4-dione;yttrium(3+) has a molecular weight of 409.30 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;3-(2,4-dimethylbenzene-5-id-1-yl)-1,6-dimethylpyrimidine-2,4-dione;yttrium(3+) is sourced from PubChem (CID 23380309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).