(5-bromopyrimidin-2-yl)-methylazanide;carbanide;tungsten(2+)

C6H8BrN3W — CID 20614489

IUPAC(5-bromopyrimidin-2-yl)-methylazanide;carbanide;tungsten(2+)
SMILESC[N-]c1ncc(Br)cn1.[CH3-].[W+2]
InChIInChI=1S/C5H5BrN3.CH3.W/c1-7-5-8-2-4(6)3-9-5;;/h2-3H,1H3;1H3;/q2*-1;+2
InChIKeyBRUOFUGUYYUESF-UHFFFAOYSA-N
MW385.90 g/mol
LogP2.32
Rot. Bonds1

About (5-bromopyrimidin-2-yl)-methylazanide;carbanide;tungsten(2+)

(5-bromopyrimidin-2-yl)-methylazanide;carbanide;tungsten(2+) (PubChem CID 20614489) has the molecular formula C6H8BrN3W and a molecular weight of 385.90 g/mol. Its IUPAC name is (5-bromopyrimidin-2-yl)-methylazanide;carbanide;tungsten(2+).

Molecular Properties

Compound Name(5-bromopyrimidin-2-yl)-methylazanide;carbanide;tungsten(2+)
PubChem CID20614489
Molecular FormulaC6H8BrN3W
Molecular Weight385.90 g/mol
Exact Mass384.94
IUPAC Name(5-bromopyrimidin-2-yl)-methylazanide;carbanide;tungsten(2+)
SMILESC[N-]c1ncc(Br)cn1.[CH3-].[W+2]
InChIInChI=1S/C5H5BrN3.CH3.W/c1-7-5-8-2-4(6)3-9-5;;/h2-3H,1H3;1H3;/q2*-1;+2
InChIKeyBRUOFUGUYYUESF-UHFFFAOYSA-N
XLogP2.32
TPSA39.88 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 52.32
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 (5-bromopyrimidin-2-yl)-methylazanide;carbanide;tungsten(2+)?
The IUPAC name of (5-bromopyrimidin-2-yl)-methylazanide;carbanide;tungsten(2+) (CID 20614489) is (5-bromopyrimidin-2-yl)-methylazanide;carbanide;tungsten(2+).
What is the SMILES notation for (5-bromopyrimidin-2-yl)-methylazanide;carbanide;tungsten(2+)?
The canonical SMILES for (5-bromopyrimidin-2-yl)-methylazanide;carbanide;tungsten(2+) is C[N-]c1ncc(Br)cn1.[CH3-].[W+2].
What is the InChIKey of (5-bromopyrimidin-2-yl)-methylazanide;carbanide;tungsten(2+)?
The InChIKey is BRUOFUGUYYUESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN3.CH3.W/c1-7-5-8-2-4(6)3-9-5;;/h2-3H,1H3;1H3;/q2*-1;+2.
What are the key properties of (5-bromopyrimidin-2-yl)-methylazanide;carbanide;tungsten(2+)?
(5-bromopyrimidin-2-yl)-methylazanide;carbanide;tungsten(2+) has a molecular weight of 385.90 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromopyrimidin-2-yl)-methylazanide;carbanide;tungsten(2+) is sourced from PubChem (CID 20614489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).