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

C9H9N7O4 — CID 149328354

IUPAC5-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)diazenyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(O)c(/N=N/c2c(O)nc(N)[nH]c2=O)c(=O)[nH]1
InChIInChI=1S/C9H9N7O4/c1-2-11-5(17)3(6(18)12-2)15-16-4-7(19)13-9(10)14-8(4)20/h1H3,(H2,11,12,17,18)(H4,10,13,14,19,20)/b16-15+
InChIKeyYBVBXPNXCXWNFT-FOCLMDBBSA-N
MW279.22 g/mol
LogP-0.43
Rot. Bonds2

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

5-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)diazenyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one (PubChem CID 149328354) has the molecular formula C9H9N7O4 and a molecular weight of 279.22 g/mol. Its IUPAC name is 5-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)diazenyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)diazenyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one
PubChem CID149328354
Molecular FormulaC9H9N7O4
Molecular Weight279.22 g/mol
Exact Mass279.07
IUPAC Name5-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)diazenyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(O)c(/N=N/c2c(O)nc(N)[nH]c2=O)c(=O)[nH]1
InChIInChI=1S/C9H9N7O4/c1-2-11-5(17)3(6(18)12-2)15-16-4-7(19)13-9(10)14-8(4)20/h1H3,(H2,11,12,17,18)(H4,10,13,14,19,20)/b16-15+
InChIKeyYBVBXPNXCXWNFT-FOCLMDBBSA-N
XLogP-0.43
TPSA182.70 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 5-0.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

5-Acetamido-2-amino-4,6-dihydroxypyrimidine
CID 14893054
N-(2-Amino-4,6-dihydroxypyrimidin-5-yl)acetamide dihydrate
CID 139081844
6-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-1H-pyrimidine-2,4-dione
CID 135733767
N'-[4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-6-oxo-1H-pyrimidin-2-yl]methanimidamide
CID 135733768
4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-2-methyl-1H-pyrimidin-6-one
CID 135844142
4-hydroxy-5-[[4-hydroxy-2-(2-methylidenehydrazinyl)-6-oxo-1H-pyrimidin-5-yl]diazenyl]-2-methyl-1H-pyrimidin-6-one
CID 136115719
N'-[4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-6-oxo-1H-pyrimidin-2-yl]methanimidamide
CID 136655355
5-amino-4-hydroxy-2-methyl-1H-pyrimidin-6-one;N-(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 157117099
6-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-1H-pyrimidine-2,4-dione;vanadium
CID 161093544
4-hydroxy-5-[[4-hydroxy-2-(iminomethylideneamino)-6-oxo-1H-pyrimidin-5-yl]diazenyl]-2-methyl-1H-pyrimidin-6-one
CID 176520986
4-hydroxy-5-[[4-hydroxy-2-(iminomethylideneamino)-6-oxo-1H-pyrimidin-5-yl]diazenyl]-2-methyl-1H-pyrimidin-6-one;bis(6-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-1H-pyrimidine-2,4-dione)
CID 176523806
[4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-6-oxo-1H-pyrimidin-2-yl]cyanamide
CID 135843082

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)diazenyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)diazenyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one (CID 149328354) is 5-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)diazenyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)diazenyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)diazenyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one is Cc1nc(O)c(/N=N/c2c(O)nc(N)[nH]c2=O)c(=O)[nH]1.
What is the InChIKey of 5-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)diazenyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
The InChIKey is YBVBXPNXCXWNFT-FOCLMDBBSA-N. The full InChI is InChI=1S/C9H9N7O4/c1-2-11-5(17)3(6(18)12-2)15-16-4-7(19)13-9(10)14-8(4)20/h1H3,(H2,11,12,17,18)(H4,10,13,14,19,20)/b16-15+.
What are the key properties of 5-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)diazenyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
5-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)diazenyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one has a molecular weight of 279.22 g/mol, XLogP of -0.43, 2 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)diazenyl]-4-hydroxy-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 149328354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).