2-(5-hydroxy-4-methoxycarbonyl-6-oxo-1H-pyrimidin-2-yl)propan-2-ylazanide;tungsten

C9H12N3O4W- — CID 135961620

IUPAC2-(5-hydroxy-4-methoxycarbonyl-6-oxo-1H-pyrimidin-2-yl)propan-2-ylazanide;tungsten
SMILESCOC(=O)c1nc(C(C)(C)[NH-])[nH]c(=O)c1O.[W]
InChIInChI=1S/C9H12N3O4.W/c1-9(2,10)8-11-4(7(15)16-3)5(13)6(14)12-8;/h10,13H,1-3H3,(H,11,12,14);/q-1;
InChIKeyUKOXFGYNKNVMKA-UHFFFAOYSA-N
MW410.05 g/mol
LogP0.55
Rot. Bonds2

About 2-(5-hydroxy-4-methoxycarbonyl-6-oxo-1H-pyrimidin-2-yl)propan-2-ylazanide;tungsten

2-(5-hydroxy-4-methoxycarbonyl-6-oxo-1H-pyrimidin-2-yl)propan-2-ylazanide;tungsten (PubChem CID 135961620) has the molecular formula C9H12N3O4W- and a molecular weight of 410.05 g/mol. Its IUPAC name is 2-(5-hydroxy-4-methoxycarbonyl-6-oxo-1H-pyrimidin-2-yl)propan-2-ylazanide;tungsten.

Molecular Properties

Compound Name2-(5-hydroxy-4-methoxycarbonyl-6-oxo-1H-pyrimidin-2-yl)propan-2-ylazanide;tungsten
PubChem CID135961620
Molecular FormulaC9H12N3O4W-
Molecular Weight410.05 g/mol
Exact Mass410.03
IUPAC Name2-(5-hydroxy-4-methoxycarbonyl-6-oxo-1H-pyrimidin-2-yl)propan-2-ylazanide;tungsten
SMILESCOC(=O)c1nc(C(C)(C)[NH-])[nH]c(=O)c1O.[W]
InChIInChI=1S/C9H12N3O4.W/c1-9(2,10)8-11-4(7(15)16-3)5(13)6(14)12-8;/h10,13H,1-3H3,(H,11,12,14);/q-1;
InChIKeyUKOXFGYNKNVMKA-UHFFFAOYSA-N
XLogP0.55
TPSA116.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.05
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-4-methoxycarbonyl-6-oxo-1H-pyrimidin-2-yl)propan-2-ylazanide;tungsten?
The IUPAC name of 2-(5-hydroxy-4-methoxycarbonyl-6-oxo-1H-pyrimidin-2-yl)propan-2-ylazanide;tungsten (CID 135961620) is 2-(5-hydroxy-4-methoxycarbonyl-6-oxo-1H-pyrimidin-2-yl)propan-2-ylazanide;tungsten.
What is the SMILES notation for 2-(5-hydroxy-4-methoxycarbonyl-6-oxo-1H-pyrimidin-2-yl)propan-2-ylazanide;tungsten?
The canonical SMILES for 2-(5-hydroxy-4-methoxycarbonyl-6-oxo-1H-pyrimidin-2-yl)propan-2-ylazanide;tungsten is COC(=O)c1nc(C(C)(C)[NH-])[nH]c(=O)c1O.[W].
What is the InChIKey of 2-(5-hydroxy-4-methoxycarbonyl-6-oxo-1H-pyrimidin-2-yl)propan-2-ylazanide;tungsten?
The InChIKey is UKOXFGYNKNVMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N3O4.W/c1-9(2,10)8-11-4(7(15)16-3)5(13)6(14)12-8;/h10,13H,1-3H3,(H,11,12,14);/q-1;.
What are the key properties of 2-(5-hydroxy-4-methoxycarbonyl-6-oxo-1H-pyrimidin-2-yl)propan-2-ylazanide;tungsten?
2-(5-hydroxy-4-methoxycarbonyl-6-oxo-1H-pyrimidin-2-yl)propan-2-ylazanide;tungsten has a molecular weight of 410.05 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-4-methoxycarbonyl-6-oxo-1H-pyrimidin-2-yl)propan-2-ylazanide;tungsten is sourced from PubChem (CID 135961620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).