(5-cyano-4-methyl-1H-pyrimidin-6-ylidene)tungsten

C6H5N3W — CID 58861835

IUPAC(5-cyano-4-methyl-1H-pyrimidin-6-ylidene)tungsten
SMILESCc1nc[nH]c(=[W])c1C#N
InChIInChI=1S/C6H5N3.W/c1-5-6(2-7)3-8-4-9-5;/h4H,1H3,(H,8,9);
InChIKeyJSKRETGPVZHEEG-UHFFFAOYSA-N
MW302.97 g/mol
LogP0.67
Rot. Bonds

About (5-cyano-4-methyl-1H-pyrimidin-6-ylidene)tungsten

(5-cyano-4-methyl-1H-pyrimidin-6-ylidene)tungsten (PubChem CID 58861835) has the molecular formula C6H5N3W and a molecular weight of 302.97 g/mol. Its IUPAC name is (5-cyano-4-methyl-1H-pyrimidin-6-ylidene)tungsten.

Molecular Properties

Compound Name(5-cyano-4-methyl-1H-pyrimidin-6-ylidene)tungsten
PubChem CID58861835
Molecular FormulaC6H5N3W
Molecular Weight302.97 g/mol
Exact Mass303.00
IUPAC Name(5-cyano-4-methyl-1H-pyrimidin-6-ylidene)tungsten
SMILESCc1nc[nH]c(=[W])c1C#N
InChIInChI=1S/C6H5N3.W/c1-5-6(2-7)3-8-4-9-5;/h4H,1H3,(H,8,9);
InChIKeyJSKRETGPVZHEEG-UHFFFAOYSA-N
XLogP0.67
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.97
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-cyano-4-methyl-1H-pyrimidin-6-ylidene)tungsten?
The IUPAC name of (5-cyano-4-methyl-1H-pyrimidin-6-ylidene)tungsten (CID 58861835) is (5-cyano-4-methyl-1H-pyrimidin-6-ylidene)tungsten.
What is the SMILES notation for (5-cyano-4-methyl-1H-pyrimidin-6-ylidene)tungsten?
The canonical SMILES for (5-cyano-4-methyl-1H-pyrimidin-6-ylidene)tungsten is Cc1nc[nH]c(=[W])c1C#N.
What is the InChIKey of (5-cyano-4-methyl-1H-pyrimidin-6-ylidene)tungsten?
The InChIKey is JSKRETGPVZHEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3.W/c1-5-6(2-7)3-8-4-9-5;/h4H,1H3,(H,8,9);.
What are the key properties of (5-cyano-4-methyl-1H-pyrimidin-6-ylidene)tungsten?
(5-cyano-4-methyl-1H-pyrimidin-6-ylidene)tungsten has a molecular weight of 302.97 g/mol, XLogP of 0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyano-4-methyl-1H-pyrimidin-6-ylidene)tungsten is sourced from PubChem (CID 58861835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).