2,6-dimethyl-5-(3H-pyridin-3-id-4-yl)-4H-pyrimidin-4-ide;ethane;tungsten(2+)

C13H15N3W — CID 178007152

IUPAC2,6-dimethyl-5-(3H-pyridin-3-id-4-yl)-4H-pyrimidin-4-ide;ethane;tungsten(2+)
SMILESCC.Cc1n[c-]c(-c2[c-]cncc2)c(C)n1.[W+2]
InChIInChI=1S/C11H9N3.C2H6.W/c1-8-11(7-13-9(2)14-8)10-3-5-12-6-4-10;1-2;/h3,5-6H,1-2H3;1-2H3;/q-2;;+2
InChIKeyGZICAPYSVORQKY-UHFFFAOYSA-N
MW397.12 g/mol
LogP2.78
Rot. Bonds1

About 2,6-dimethyl-5-(3H-pyridin-3-id-4-yl)-4H-pyrimidin-4-ide;ethane;tungsten(2+)

2,6-dimethyl-5-(3H-pyridin-3-id-4-yl)-4H-pyrimidin-4-ide;ethane;tungsten(2+) (PubChem CID 178007152) has the molecular formula C13H15N3W and a molecular weight of 397.12 g/mol. Its IUPAC name is 2,6-dimethyl-5-(3H-pyridin-3-id-4-yl)-4H-pyrimidin-4-ide;ethane;tungsten(2+).

Molecular Properties

Compound Name2,6-dimethyl-5-(3H-pyridin-3-id-4-yl)-4H-pyrimidin-4-ide;ethane;tungsten(2+)
PubChem CID178007152
Molecular FormulaC13H15N3W
Molecular Weight397.12 g/mol
Exact Mass397.08
IUPAC Name2,6-dimethyl-5-(3H-pyridin-3-id-4-yl)-4H-pyrimidin-4-ide;ethane;tungsten(2+)
SMILESCC.Cc1n[c-]c(-c2[c-]cncc2)c(C)n1.[W+2]
InChIInChI=1S/C11H9N3.C2H6.W/c1-8-11(7-13-9(2)14-8)10-3-5-12-6-4-10;1-2;/h3,5-6H,1-2H3;1-2H3;/q-2;;+2
InChIKeyGZICAPYSVORQKY-UHFFFAOYSA-N
XLogP2.78
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.12
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2,6-dimethyl-5-(3H-pyridin-3-id-4-yl)-4H-pyrimidin-4-ide;ethane;tungsten(2+)?
The IUPAC name of 2,6-dimethyl-5-(3H-pyridin-3-id-4-yl)-4H-pyrimidin-4-ide;ethane;tungsten(2+) (CID 178007152) is 2,6-dimethyl-5-(3H-pyridin-3-id-4-yl)-4H-pyrimidin-4-ide;ethane;tungsten(2+).
What is the SMILES notation for 2,6-dimethyl-5-(3H-pyridin-3-id-4-yl)-4H-pyrimidin-4-ide;ethane;tungsten(2+)?
The canonical SMILES for 2,6-dimethyl-5-(3H-pyridin-3-id-4-yl)-4H-pyrimidin-4-ide;ethane;tungsten(2+) is CC.Cc1n[c-]c(-c2[c-]cncc2)c(C)n1.[W+2].
What is the InChIKey of 2,6-dimethyl-5-(3H-pyridin-3-id-4-yl)-4H-pyrimidin-4-ide;ethane;tungsten(2+)?
The InChIKey is GZICAPYSVORQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3.C2H6.W/c1-8-11(7-13-9(2)14-8)10-3-5-12-6-4-10;1-2;/h3,5-6H,1-2H3;1-2H3;/q-2;;+2.
What are the key properties of 2,6-dimethyl-5-(3H-pyridin-3-id-4-yl)-4H-pyrimidin-4-ide;ethane;tungsten(2+)?
2,6-dimethyl-5-(3H-pyridin-3-id-4-yl)-4H-pyrimidin-4-ide;ethane;tungsten(2+) has a molecular weight of 397.12 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-5-(3H-pyridin-3-id-4-yl)-4H-pyrimidin-4-ide;ethane;tungsten(2+) is sourced from PubChem (CID 178007152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).