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

C10H10N8O4 — CID 135733768

IUPACN'-[4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-6-oxo-1H-pyrimidin-2-yl]methanimidamide
SMILESCc1nc(O)c(/N=N/c2c(O)nc(/N=C/N)[nH]c2=O)c(=O)[nH]1
InChIInChI=1S/C10H10N8O4/c1-3-13-6(19)4(7(20)14-3)17-18-5-8(21)15-10(12-2-11)16-9(5)22/h2H,1H3,(H2,13,14,19,20)(H4,11,12,15,16,21,22)/b18-17+
InChIKeyHMEAJGCMYGZRII-ISLYRVAYSA-N
MW306.24 g/mol
LogP-0.39
Rot. Bonds3

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

N'-[4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-6-oxo-1H-pyrimidin-2-yl]methanimidamide (PubChem CID 135733768) has the molecular formula C10H10N8O4 and a molecular weight of 306.24 g/mol. Its IUPAC name is N'-[4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-6-oxo-1H-pyrimidin-2-yl]methanimidamide.

Molecular Properties

Compound NameN'-[4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-6-oxo-1H-pyrimidin-2-yl]methanimidamide
PubChem CID135733768
Molecular FormulaC10H10N8O4
Molecular Weight306.24 g/mol
Exact Mass306.08
IUPAC NameN'-[4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-6-oxo-1H-pyrimidin-2-yl]methanimidamide
SMILESCc1nc(O)c(/N=N/c2c(O)nc(/N=C/N)[nH]c2=O)c(=O)[nH]1
InChIInChI=1S/C10H10N8O4/c1-3-13-6(19)4(7(20)14-3)17-18-5-8(21)15-10(12-2-11)16-9(5)22/h2H,1H3,(H2,13,14,19,20)(H4,11,12,15,16,21,22)/b18-17+
InChIKeyHMEAJGCMYGZRII-ISLYRVAYSA-N
XLogP-0.39
TPSA195.06 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 5-0.39
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'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-6-oxo-1H-pyrimidin-2-yl]methanimidamide?
The IUPAC name of N'-[4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-6-oxo-1H-pyrimidin-2-yl]methanimidamide (CID 135733768) is N'-[4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-6-oxo-1H-pyrimidin-2-yl]methanimidamide.
What is the SMILES notation for N'-[4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-6-oxo-1H-pyrimidin-2-yl]methanimidamide?
The canonical SMILES for N'-[4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-6-oxo-1H-pyrimidin-2-yl]methanimidamide is Cc1nc(O)c(/N=N/c2c(O)nc(/N=C/N)[nH]c2=O)c(=O)[nH]1.
What is the InChIKey of N'-[4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-6-oxo-1H-pyrimidin-2-yl]methanimidamide?
The InChIKey is HMEAJGCMYGZRII-ISLYRVAYSA-N. The full InChI is InChI=1S/C10H10N8O4/c1-3-13-6(19)4(7(20)14-3)17-18-5-8(21)15-10(12-2-11)16-9(5)22/h2H,1H3,(H2,13,14,19,20)(H4,11,12,15,16,21,22)/b18-17+.
What are the key properties of N'-[4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-6-oxo-1H-pyrimidin-2-yl]methanimidamide?
N'-[4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-6-oxo-1H-pyrimidin-2-yl]methanimidamide has a molecular weight of 306.24 g/mol, XLogP of -0.39, 3 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-hydroxy-5-[(4-hydroxy-2-methyl-6-oxo-1H-pyrimidin-5-yl)diazenyl]-6-oxo-1H-pyrimidin-2-yl]methanimidamide is sourced from PubChem (CID 135733768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).