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

C10H10N6O4 — CID 135844142

IUPAC4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(O)c(/N=N/c2c(O)nc(C)[nH]c2=O)c(=O)[nH]1
InChIInChI=1S/C10H10N6O4/c1-3-11-7(17)5(8(18)12-3)15-16-6-9(19)13-4(2)14-10(6)20/h1-2H3,(H2,11,12,17,18)(H2,13,14,19,20)/b16-15+
InChIKeyZLDOVIDPKSRCGR-FOCLMDBBSA-N
MW278.23 g/mol
LogP0.30
Rot. Bonds2

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

4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 135844142) has the molecular formula C10H10N6O4 and a molecular weight of 278.23 g/mol. Its IUPAC name is 4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-2-methyl-1H-pyrimidin-6-one
PubChem CID135844142
Molecular FormulaC10H10N6O4
Molecular Weight278.23 g/mol
Exact Mass278.08
IUPAC Name4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(O)c(/N=N/c2c(O)nc(C)[nH]c2=O)c(=O)[nH]1
InChIInChI=1S/C10H10N6O4/c1-3-11-7(17)5(8(18)12-3)15-16-6-9(19)13-4(2)14-10(6)20/h1-2H3,(H2,11,12,17,18)(H2,13,14,19,20)/b16-15+
InChIKeyZLDOVIDPKSRCGR-FOCLMDBBSA-N
XLogP0.30
TPSA156.68 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 50.30
H-Bond Donors ≤ 54
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 4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-2-methyl-1H-pyrimidin-6-one (CID 135844142) is 4-hydroxy-5-[(4-hydroxy-2-methyl-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-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-2-methyl-1H-pyrimidin-6-one is Cc1nc(O)c(/N=N/c2c(O)nc(C)[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]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is ZLDOVIDPKSRCGR-FOCLMDBBSA-N. The full InChI is InChI=1S/C10H10N6O4/c1-3-11-7(17)5(8(18)12-3)15-16-6-9(19)13-4(2)14-10(6)20/h1-2H3,(H2,11,12,17,18)(H2,13,14,19,20)/b16-15+.
What are the key properties of 4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-2-methyl-1H-pyrimidin-6-one?
4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 278.23 g/mol, XLogP of 0.30, 2 rotatable bonds, 4 hydrogen bond donors, and 8 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]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135844142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).