6-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-1H-pyrimidine-2,4-dione;vanadium

C9H8N6O5V — CID 161093544

IUPAC6-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-1H-pyrimidine-2,4-dione;vanadium
SMILESCc1nc(O)c(/N=N/c2c(O)[nH]c(=O)[nH]c2=O)c(=O)[nH]1.[V]
InChIInChI=1S/C9H8N6O5.V/c1-2-10-5(16)3(6(17)11-2)14-15-4-7(18)12-9(20)13-8(4)19;/h1H3,(H2,10,11,16,17)(H3,12,13,18,19,20);/b15-14+;
InChIKeyUHMLGDSJEYYIRU-WPDLWGESSA-N
MW331.14 g/mol
LogP-0.72
Rot. Bonds2

About 6-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-1H-pyrimidine-2,4-dione;vanadium

6-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-1H-pyrimidine-2,4-dione;vanadium (PubChem CID 161093544) has the molecular formula C9H8N6O5V and a molecular weight of 331.14 g/mol. Its IUPAC name is 6-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-1H-pyrimidine-2,4-dione;vanadium.

Molecular Properties

Compound Name6-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-1H-pyrimidine-2,4-dione;vanadium
PubChem CID161093544
Molecular FormulaC9H8N6O5V
Molecular Weight331.14 g/mol
Exact Mass331.00
IUPAC Name6-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-1H-pyrimidine-2,4-dione;vanadium
SMILESCc1nc(O)c(/N=N/c2c(O)[nH]c(=O)[nH]c2=O)c(=O)[nH]1.[V]
InChIInChI=1S/C9H8N6O5.V/c1-2-10-5(16)3(6(17)11-2)14-15-4-7(18)12-9(20)13-8(4)19;/h1H3,(H2,10,11,16,17)(H3,12,13,18,19,20);/b15-14+;
InChIKeyUHMLGDSJEYYIRU-WPDLWGESSA-N
XLogP-0.72
TPSA176.65 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.14
LogP ≤ 5-0.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-1H-pyrimidine-2,4-dione;vanadium?
The IUPAC name of 6-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-1H-pyrimidine-2,4-dione;vanadium (CID 161093544) is 6-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-1H-pyrimidine-2,4-dione;vanadium.
What is the SMILES notation for 6-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-1H-pyrimidine-2,4-dione;vanadium?
The canonical SMILES for 6-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-1H-pyrimidine-2,4-dione;vanadium is Cc1nc(O)c(/N=N/c2c(O)[nH]c(=O)[nH]c2=O)c(=O)[nH]1.[V].
What is the InChIKey of 6-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-1H-pyrimidine-2,4-dione;vanadium?
The InChIKey is UHMLGDSJEYYIRU-WPDLWGESSA-N. The full InChI is InChI=1S/C9H8N6O5.V/c1-2-10-5(16)3(6(17)11-2)14-15-4-7(18)12-9(20)13-8(4)19;/h1H3,(H2,10,11,16,17)(H3,12,13,18,19,20);/b15-14+;.
What are the key properties of 6-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-1H-pyrimidine-2,4-dione;vanadium?
6-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-1H-pyrimidine-2,4-dione;vanadium has a molecular weight of 331.14 g/mol, XLogP of -0.72, 2 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-1H-pyrimidine-2,4-dione;vanadium is sourced from PubChem (CID 161093544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).