4-hydroxy-5-[[4-hydroxy-2-(iminomethylideneamino)-6-oxo-1H-pyrimidin-5-yl]diazenyl]-2-methyl-1H-pyrimidin-6-one

C10H8N8O4 — CID 176520986

IUPAC4-hydroxy-5-[[4-hydroxy-2-(iminomethylideneamino)-6-oxo-1H-pyrimidin-5-yl]diazenyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(O)c(/N=N/c2c(O)nc(N=C=N)[nH]c2=O)c(=O)[nH]1
InChIInChI=1S/C10H8N8O4/c1-3-13-6(19)4(7(20)14-3)17-18-5-8(21)15-10(12-2-11)16-9(5)22/h11H,1H3,(H2,13,14,19,20)(H2,15,16,21,22)/b18-17+
InChIKeyHIPSTXUNDDUENG-ISLYRVAYSA-N
MW304.23 g/mol
LogP0.37
Rot. Bonds3

About 4-hydroxy-5-[[4-hydroxy-2-(iminomethylideneamino)-6-oxo-1H-pyrimidin-5-yl]diazenyl]-2-methyl-1H-pyrimidin-6-one

4-hydroxy-5-[[4-hydroxy-2-(iminomethylideneamino)-6-oxo-1H-pyrimidin-5-yl]diazenyl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 176520986) has the molecular formula C10H8N8O4 and a molecular weight of 304.23 g/mol. Its IUPAC name is 4-hydroxy-5-[[4-hydroxy-2-(iminomethylideneamino)-6-oxo-1H-pyrimidin-5-yl]diazenyl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-[[4-hydroxy-2-(iminomethylideneamino)-6-oxo-1H-pyrimidin-5-yl]diazenyl]-2-methyl-1H-pyrimidin-6-one
PubChem CID176520986
Molecular FormulaC10H8N8O4
Molecular Weight304.23 g/mol
Exact Mass304.07
IUPAC Name4-hydroxy-5-[[4-hydroxy-2-(iminomethylideneamino)-6-oxo-1H-pyrimidin-5-yl]diazenyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(O)c(/N=N/c2c(O)nc(N=C=N)[nH]c2=O)c(=O)[nH]1
InChIInChI=1S/C10H8N8O4/c1-3-13-6(19)4(7(20)14-3)17-18-5-8(21)15-10(12-2-11)16-9(5)22/h11H,1H3,(H2,13,14,19,20)(H2,15,16,21,22)/b18-17+
InChIKeyHIPSTXUNDDUENG-ISLYRVAYSA-N
XLogP0.37
TPSA192.89 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 50.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[[4-hydroxy-2-(iminomethylideneamino)-6-oxo-1H-pyrimidin-5-yl]diazenyl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-[[4-hydroxy-2-(iminomethylideneamino)-6-oxo-1H-pyrimidin-5-yl]diazenyl]-2-methyl-1H-pyrimidin-6-one (CID 176520986) is 4-hydroxy-5-[[4-hydroxy-2-(iminomethylideneamino)-6-oxo-1H-pyrimidin-5-yl]diazenyl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-[[4-hydroxy-2-(iminomethylideneamino)-6-oxo-1H-pyrimidin-5-yl]diazenyl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-[[4-hydroxy-2-(iminomethylideneamino)-6-oxo-1H-pyrimidin-5-yl]diazenyl]-2-methyl-1H-pyrimidin-6-one is Cc1nc(O)c(/N=N/c2c(O)nc(N=C=N)[nH]c2=O)c(=O)[nH]1.
What is the InChIKey of 4-hydroxy-5-[[4-hydroxy-2-(iminomethylideneamino)-6-oxo-1H-pyrimidin-5-yl]diazenyl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is HIPSTXUNDDUENG-ISLYRVAYSA-N. The full InChI is InChI=1S/C10H8N8O4/c1-3-13-6(19)4(7(20)14-3)17-18-5-8(21)15-10(12-2-11)16-9(5)22/h11H,1H3,(H2,13,14,19,20)(H2,15,16,21,22)/b18-17+.
What are the key properties of 4-hydroxy-5-[[4-hydroxy-2-(iminomethylideneamino)-6-oxo-1H-pyrimidin-5-yl]diazenyl]-2-methyl-1H-pyrimidin-6-one?
4-hydroxy-5-[[4-hydroxy-2-(iminomethylideneamino)-6-oxo-1H-pyrimidin-5-yl]diazenyl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 304.23 g/mol, XLogP of 0.37, 3 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[[4-hydroxy-2-(iminomethylideneamino)-6-oxo-1H-pyrimidin-5-yl]diazenyl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 176520986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).