3-(2,4-dimethylbenzene-5-id-1-yl)-1,5,6-trimethyl-2-methylidenepyrimidin-4-one;tungsten

C16H19N2OW- — CID 59957632

IUPAC3-(2,4-dimethylbenzene-5-id-1-yl)-1,5,6-trimethyl-2-methylidenepyrimidin-4-one;tungsten
SMILESC=C1N(C)C(C)=C(C)C(=O)N1c1c[c-]c(C)cc1C.[W]
InChIInChI=1S/C16H19N2O.W/c1-10-7-8-15(11(2)9-10)18-14(5)17(6)13(4)12(3)16(18)19;/h8-9H,5H2,1-4,6H3;/q-1;
InChIKeyNBOPUSZAQUTBFQ-UHFFFAOYSA-N
MW439.18 g/mol
LogP3.14
Rot. Bonds1

About 3-(2,4-dimethylbenzene-5-id-1-yl)-1,5,6-trimethyl-2-methylidenepyrimidin-4-one;tungsten

3-(2,4-dimethylbenzene-5-id-1-yl)-1,5,6-trimethyl-2-methylidenepyrimidin-4-one;tungsten (PubChem CID 59957632) has the molecular formula C16H19N2OW- and a molecular weight of 439.18 g/mol. Its IUPAC name is 3-(2,4-dimethylbenzene-5-id-1-yl)-1,5,6-trimethyl-2-methylidenepyrimidin-4-one;tungsten.

Molecular Properties

Compound Name3-(2,4-dimethylbenzene-5-id-1-yl)-1,5,6-trimethyl-2-methylidenepyrimidin-4-one;tungsten
PubChem CID59957632
Molecular FormulaC16H19N2OW-
Molecular Weight439.18 g/mol
Exact Mass439.10
IUPAC Name3-(2,4-dimethylbenzene-5-id-1-yl)-1,5,6-trimethyl-2-methylidenepyrimidin-4-one;tungsten
SMILESC=C1N(C)C(C)=C(C)C(=O)N1c1c[c-]c(C)cc1C.[W]
InChIInChI=1S/C16H19N2O.W/c1-10-7-8-15(11(2)9-10)18-14(5)17(6)13(4)12(3)16(18)19;/h8-9H,5H2,1-4,6H3;/q-1;
InChIKeyNBOPUSZAQUTBFQ-UHFFFAOYSA-N
XLogP3.14
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.18
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-trimethyl-2-methylidenepyrimidin-4-one;tungsten?
The IUPAC name of 3-(2,4-dimethylbenzene-5-id-1-yl)-1,5,6-trimethyl-2-methylidenepyrimidin-4-one;tungsten (CID 59957632) is 3-(2,4-dimethylbenzene-5-id-1-yl)-1,5,6-trimethyl-2-methylidenepyrimidin-4-one;tungsten.
What is the SMILES notation for 3-(2,4-dimethylbenzene-5-id-1-yl)-1,5,6-trimethyl-2-methylidenepyrimidin-4-one;tungsten?
The canonical SMILES for 3-(2,4-dimethylbenzene-5-id-1-yl)-1,5,6-trimethyl-2-methylidenepyrimidin-4-one;tungsten is C=C1N(C)C(C)=C(C)C(=O)N1c1c[c-]c(C)cc1C.[W].
What is the InChIKey of 3-(2,4-dimethylbenzene-5-id-1-yl)-1,5,6-trimethyl-2-methylidenepyrimidin-4-one;tungsten?
The InChIKey is NBOPUSZAQUTBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N2O.W/c1-10-7-8-15(11(2)9-10)18-14(5)17(6)13(4)12(3)16(18)19;/h8-9H,5H2,1-4,6H3;/q-1;.
What are the key properties of 3-(2,4-dimethylbenzene-5-id-1-yl)-1,5,6-trimethyl-2-methylidenepyrimidin-4-one;tungsten?
3-(2,4-dimethylbenzene-5-id-1-yl)-1,5,6-trimethyl-2-methylidenepyrimidin-4-one;tungsten has a molecular weight of 439.18 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylbenzene-5-id-1-yl)-1,5,6-trimethyl-2-methylidenepyrimidin-4-one;tungsten is sourced from PubChem (CID 59957632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).