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

C10H8N8O4 — CID 135843082

IUPAC[4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-6-oxo-1H-pyrimidin-2-yl]cyanamide
SMILESCc1nc(O)c(/N=N/c2c(O)nc(NC#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/h1H3,(H2,13,14,19,20)(H3,12,15,16,21,22)/b18-17+
InChIKeyZWAZEVMSFMFDOU-ISLYRVAYSA-N
MW304.23 g/mol
LogP-0.12
Rot. Bonds3

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

[4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-6-oxo-1H-pyrimidin-2-yl]cyanamide (PubChem CID 135843082) has the molecular formula C10H8N8O4 and a molecular weight of 304.23 g/mol. Its IUPAC name is [4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-6-oxo-1H-pyrimidin-2-yl]cyanamide.

Molecular Properties

Compound Name[4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-6-oxo-1H-pyrimidin-2-yl]cyanamide
PubChem CID135843082
Molecular FormulaC10H8N8O4
Molecular Weight304.23 g/mol
Exact Mass304.07
IUPAC Name[4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-6-oxo-1H-pyrimidin-2-yl]cyanamide
SMILESCc1nc(O)c(/N=N/c2c(O)nc(NC#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/h1H3,(H2,13,14,19,20)(H3,12,15,16,21,22)/b18-17+
InChIKeyZWAZEVMSFMFDOU-ISLYRVAYSA-N
XLogP-0.12
TPSA192.50 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 ≤ 5-0.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-6-oxo-1H-pyrimidin-2-yl]cyanamide?
The IUPAC name of [4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-6-oxo-1H-pyrimidin-2-yl]cyanamide (CID 135843082) is [4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-6-oxo-1H-pyrimidin-2-yl]cyanamide.
What is the SMILES notation for [4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-6-oxo-1H-pyrimidin-2-yl]cyanamide?
The canonical SMILES for [4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-6-oxo-1H-pyrimidin-2-yl]cyanamide is Cc1nc(O)c(/N=N/c2c(O)nc(NC#N)[nH]c2=O)c(=O)[nH]1.
What is the InChIKey of [4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-6-oxo-1H-pyrimidin-2-yl]cyanamide?
The InChIKey is ZWAZEVMSFMFDOU-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/h1H3,(H2,13,14,19,20)(H3,12,15,16,21,22)/b18-17+.
What are the key properties of [4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-6-oxo-1H-pyrimidin-2-yl]cyanamide?
[4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-6-oxo-1H-pyrimidin-2-yl]cyanamide has a molecular weight of 304.23 g/mol, XLogP of -0.12, 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-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-6-oxo-1H-pyrimidin-2-yl]cyanamide is sourced from PubChem (CID 135843082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).