3-methyl-2H-pyrimidin-2-id-4-one;tungsten

C5H5N2OW- — CID 58315200

IUPAC3-methyl-2H-pyrimidin-2-id-4-one;tungsten
SMILESCn1[c-]nccc1=O.[W]
InChIInChI=1S/C5H5N2O.W/c1-7-4-6-3-2-5(7)8;/h2-3H,1H3;/q-1;
InChIKeyHJOPNERGNFGNNU-UHFFFAOYSA-N
MW292.95 g/mol
LogP-0.42
Rot. Bonds

About 3-methyl-2H-pyrimidin-2-id-4-one;tungsten

3-methyl-2H-pyrimidin-2-id-4-one;tungsten (PubChem CID 58315200) has the molecular formula C5H5N2OW- and a molecular weight of 292.95 g/mol. Its IUPAC name is 3-methyl-2H-pyrimidin-2-id-4-one;tungsten.

Molecular Properties

Compound Name3-methyl-2H-pyrimidin-2-id-4-one;tungsten
PubChem CID58315200
Molecular FormulaC5H5N2OW-
Molecular Weight292.95 g/mol
Exact Mass292.99
IUPAC Name3-methyl-2H-pyrimidin-2-id-4-one;tungsten
SMILESCn1[c-]nccc1=O.[W]
InChIInChI=1S/C5H5N2O.W/c1-7-4-6-3-2-5(7)8;/h2-3H,1H3;/q-1;
InChIKeyHJOPNERGNFGNNU-UHFFFAOYSA-N
XLogP-0.42
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.95
LogP ≤ 5-0.42
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 3-methyl-2H-pyrimidin-2-id-4-one;tungsten?
The IUPAC name of 3-methyl-2H-pyrimidin-2-id-4-one;tungsten (CID 58315200) is 3-methyl-2H-pyrimidin-2-id-4-one;tungsten.
What is the SMILES notation for 3-methyl-2H-pyrimidin-2-id-4-one;tungsten?
The canonical SMILES for 3-methyl-2H-pyrimidin-2-id-4-one;tungsten is Cn1[c-]nccc1=O.[W].
What is the InChIKey of 3-methyl-2H-pyrimidin-2-id-4-one;tungsten?
The InChIKey is HJOPNERGNFGNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N2O.W/c1-7-4-6-3-2-5(7)8;/h2-3H,1H3;/q-1;.
What are the key properties of 3-methyl-2H-pyrimidin-2-id-4-one;tungsten?
3-methyl-2H-pyrimidin-2-id-4-one;tungsten has a molecular weight of 292.95 g/mol, XLogP of -0.42, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2H-pyrimidin-2-id-4-one;tungsten is sourced from PubChem (CID 58315200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).