3-(2,4-dimethylbenzene-5-id-1-yl)-1,5,6-trimethylpyrimidine-2,4-dione;tungsten

C15H17N2O2W- — CID 59957637

IUPAC3-(2,4-dimethylbenzene-5-id-1-yl)-1,5,6-trimethylpyrimidine-2,4-dione;tungsten
SMILESCc1[c-]cc(-n2c(=O)c(C)c(C)n(C)c2=O)c(C)c1.[W]
InChIInChI=1S/C15H17N2O2.W/c1-9-6-7-13(10(2)8-9)17-14(18)11(3)12(4)16(5)15(17)19;/h7-8H,1-5H3;/q-1;
InChIKeyVEDIOGBWBCYZRJ-UHFFFAOYSA-N
MW441.15 g/mol
LogP1.57
Rot. Bonds1

About 3-(2,4-dimethylbenzene-5-id-1-yl)-1,5,6-trimethylpyrimidine-2,4-dione;tungsten

3-(2,4-dimethylbenzene-5-id-1-yl)-1,5,6-trimethylpyrimidine-2,4-dione;tungsten (PubChem CID 59957637) has the molecular formula C15H17N2O2W- and a molecular weight of 441.15 g/mol. Its IUPAC name is 3-(2,4-dimethylbenzene-5-id-1-yl)-1,5,6-trimethylpyrimidine-2,4-dione;tungsten.

Molecular Properties

Compound Name3-(2,4-dimethylbenzene-5-id-1-yl)-1,5,6-trimethylpyrimidine-2,4-dione;tungsten
PubChem CID59957637
Molecular FormulaC15H17N2O2W-
Molecular Weight441.15 g/mol
Exact Mass441.08
IUPAC Name3-(2,4-dimethylbenzene-5-id-1-yl)-1,5,6-trimethylpyrimidine-2,4-dione;tungsten
SMILESCc1[c-]cc(-n2c(=O)c(C)c(C)n(C)c2=O)c(C)c1.[W]
InChIInChI=1S/C15H17N2O2.W/c1-9-6-7-13(10(2)8-9)17-14(18)11(3)12(4)16(5)15(17)19;/h7-8H,1-5H3;/q-1;
InChIKeyVEDIOGBWBCYZRJ-UHFFFAOYSA-N
XLogP1.57
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.15
LogP ≤ 51.57
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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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylbenzene-5-id-1-yl)-1,5,6-trimethylpyrimidine-2,4-dione;tungsten?
The IUPAC name of 3-(2,4-dimethylbenzene-5-id-1-yl)-1,5,6-trimethylpyrimidine-2,4-dione;tungsten (CID 59957637) is 3-(2,4-dimethylbenzene-5-id-1-yl)-1,5,6-trimethylpyrimidine-2,4-dione;tungsten.
What is the SMILES notation for 3-(2,4-dimethylbenzene-5-id-1-yl)-1,5,6-trimethylpyrimidine-2,4-dione;tungsten?
The canonical SMILES for 3-(2,4-dimethylbenzene-5-id-1-yl)-1,5,6-trimethylpyrimidine-2,4-dione;tungsten is Cc1[c-]cc(-n2c(=O)c(C)c(C)n(C)c2=O)c(C)c1.[W].
What is the InChIKey of 3-(2,4-dimethylbenzene-5-id-1-yl)-1,5,6-trimethylpyrimidine-2,4-dione;tungsten?
The InChIKey is VEDIOGBWBCYZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N2O2.W/c1-9-6-7-13(10(2)8-9)17-14(18)11(3)12(4)16(5)15(17)19;/h7-8H,1-5H3;/q-1;.
What are the key properties of 3-(2,4-dimethylbenzene-5-id-1-yl)-1,5,6-trimethylpyrimidine-2,4-dione;tungsten?
3-(2,4-dimethylbenzene-5-id-1-yl)-1,5,6-trimethylpyrimidine-2,4-dione;tungsten has a molecular weight of 441.15 g/mol, XLogP of 1.57, 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)-1,5,6-trimethylpyrimidine-2,4-dione;tungsten is sourced from PubChem (CID 59957637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).