1-(2,4-dimethylbenzene-5-id-1-yl)-2,4,5-trimethyl-6-methylidenepyrimidine;tungsten

C16H19N2W- — CID 59957624

IUPAC1-(2,4-dimethylbenzene-5-id-1-yl)-2,4,5-trimethyl-6-methylidenepyrimidine;tungsten
SMILESC=C1C(C)=C(C)N=C(C)N1c1c[c-]c(C)cc1C.[W]
InChIInChI=1S/C16H19N2.W/c1-10-7-8-16(11(2)9-10)18-14(5)12(3)13(4)17-15(18)6;/h8-9H,5H2,1-4,6H3;/q-1;
InChIKeyMSYSOSDWYZWQMV-UHFFFAOYSA-N
MW423.18 g/mol
LogP4.15
Rot. Bonds1

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

1-(2,4-dimethylbenzene-5-id-1-yl)-2,4,5-trimethyl-6-methylidenepyrimidine;tungsten (PubChem CID 59957624) has the molecular formula C16H19N2W- and a molecular weight of 423.18 g/mol. Its IUPAC name is 1-(2,4-dimethylbenzene-5-id-1-yl)-2,4,5-trimethyl-6-methylidenepyrimidine;tungsten.

Molecular Properties

Compound Name1-(2,4-dimethylbenzene-5-id-1-yl)-2,4,5-trimethyl-6-methylidenepyrimidine;tungsten
PubChem CID59957624
Molecular FormulaC16H19N2W-
Molecular Weight423.18 g/mol
Exact Mass423.11
IUPAC Name1-(2,4-dimethylbenzene-5-id-1-yl)-2,4,5-trimethyl-6-methylidenepyrimidine;tungsten
SMILESC=C1C(C)=C(C)N=C(C)N1c1c[c-]c(C)cc1C.[W]
InChIInChI=1S/C16H19N2.W/c1-10-7-8-16(11(2)9-10)18-14(5)12(3)13(4)17-15(18)6;/h8-9H,5H2,1-4,6H3;/q-1;
InChIKeyMSYSOSDWYZWQMV-UHFFFAOYSA-N
XLogP4.15
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.18
LogP ≤ 54.15
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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Related Compounds

1-(2,4-Dimethylbenzene-5-id-1-yl)-2-ethynyl-4,5-dimethyl-6-methylidenepyrimidine;tungsten
CID 59972574
2,4-Ditert-butyl-1-(5-methylcyclohexa-1,5-dien-1-yl)-1,3-diazet-1-ium
CID 123482182
4-Ethyl-1,2,5-trimethyl-6-methylidenepyrimidine
CID 143564073
1,2-Dimethyl-4-methylidene-6-propan-2-ylpyrimidine
CID 166867535
1,2-Dimethyl-6-methylidene-4-propan-2-ylpyrimidine
CID 170093998
6-but-2-en-2-yl-1,2-dimethyl-4H-pyrimidine
CID 18740826
5,6-di(ethylidene)-1,2-dimethyl-4H-pyrimidine
CID 18740828
1-(2,4-Dimethylbenzene-5-id-1-yl)-2,4,5-trimethyl-6-methylidenepyrimidine;tungsten(2+)
CID 20657540
N'-[(3E)-4-ethenyl-5-methylhexa-1,3,5-trien-3-yl]-N-methyl-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]propanimidamide
CID 145212764

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylbenzene-5-id-1-yl)-2,4,5-trimethyl-6-methylidenepyrimidine;tungsten?
The IUPAC name of 1-(2,4-dimethylbenzene-5-id-1-yl)-2,4,5-trimethyl-6-methylidenepyrimidine;tungsten (CID 59957624) is 1-(2,4-dimethylbenzene-5-id-1-yl)-2,4,5-trimethyl-6-methylidenepyrimidine;tungsten.
What is the SMILES notation for 1-(2,4-dimethylbenzene-5-id-1-yl)-2,4,5-trimethyl-6-methylidenepyrimidine;tungsten?
The canonical SMILES for 1-(2,4-dimethylbenzene-5-id-1-yl)-2,4,5-trimethyl-6-methylidenepyrimidine;tungsten is C=C1C(C)=C(C)N=C(C)N1c1c[c-]c(C)cc1C.[W].
What is the InChIKey of 1-(2,4-dimethylbenzene-5-id-1-yl)-2,4,5-trimethyl-6-methylidenepyrimidine;tungsten?
The InChIKey is MSYSOSDWYZWQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N2.W/c1-10-7-8-16(11(2)9-10)18-14(5)12(3)13(4)17-15(18)6;/h8-9H,5H2,1-4,6H3;/q-1;.
What are the key properties of 1-(2,4-dimethylbenzene-5-id-1-yl)-2,4,5-trimethyl-6-methylidenepyrimidine;tungsten?
1-(2,4-dimethylbenzene-5-id-1-yl)-2,4,5-trimethyl-6-methylidenepyrimidine;tungsten has a molecular weight of 423.18 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylbenzene-5-id-1-yl)-2,4,5-trimethyl-6-methylidenepyrimidine;tungsten is sourced from PubChem (CID 59957624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).