2,4-diamino-5-[(2-hydroxy-5-methylphenyl)diazenyl]-1H-pyrimidin-6-one

C11H12N6O2 — CID 135973222

IUPAC2,4-diamino-5-[(2-hydroxy-5-methylphenyl)diazenyl]-1H-pyrimidin-6-one
SMILESCc1ccc(O)c(/N=N/c2c(N)nc(N)[nH]c2=O)c1
InChIInChI=1S/C11H12N6O2/c1-5-2-3-7(18)6(4-5)16-17-8-9(12)14-11(13)15-10(8)19/h2-4,18H,1H3,(H5,12,13,14,15,19)/b17-16+
InChIKeyZQVKTICFLRSNLS-WUKNDPDISA-N
MW260.26 g/mol
LogP1.36
Rot. Bonds2

About 2,4-diamino-5-[(2-hydroxy-5-methylphenyl)diazenyl]-1H-pyrimidin-6-one

2,4-diamino-5-[(2-hydroxy-5-methylphenyl)diazenyl]-1H-pyrimidin-6-one (PubChem CID 135973222) has the molecular formula C11H12N6O2 and a molecular weight of 260.26 g/mol. Its IUPAC name is 2,4-diamino-5-[(2-hydroxy-5-methylphenyl)diazenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-diamino-5-[(2-hydroxy-5-methylphenyl)diazenyl]-1H-pyrimidin-6-one
PubChem CID135973222
Molecular FormulaC11H12N6O2
Molecular Weight260.26 g/mol
Exact Mass260.10
IUPAC Name2,4-diamino-5-[(2-hydroxy-5-methylphenyl)diazenyl]-1H-pyrimidin-6-one
SMILESCc1ccc(O)c(/N=N/c2c(N)nc(N)[nH]c2=O)c1
InChIInChI=1S/C11H12N6O2/c1-5-2-3-7(18)6(4-5)16-17-8-9(12)14-11(13)15-10(8)19/h2-4,18H,1H3,(H5,12,13,14,15,19)/b17-16+
InChIKeyZQVKTICFLRSNLS-WUKNDPDISA-N
XLogP1.36
TPSA142.74 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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 2,4-diamino-5-[(2-hydroxy-5-methylphenyl)diazenyl]-1H-pyrimidin-6-one?
The IUPAC name of 2,4-diamino-5-[(2-hydroxy-5-methylphenyl)diazenyl]-1H-pyrimidin-6-one (CID 135973222) is 2,4-diamino-5-[(2-hydroxy-5-methylphenyl)diazenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-diamino-5-[(2-hydroxy-5-methylphenyl)diazenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-diamino-5-[(2-hydroxy-5-methylphenyl)diazenyl]-1H-pyrimidin-6-one is Cc1ccc(O)c(/N=N/c2c(N)nc(N)[nH]c2=O)c1.
What is the InChIKey of 2,4-diamino-5-[(2-hydroxy-5-methylphenyl)diazenyl]-1H-pyrimidin-6-one?
The InChIKey is ZQVKTICFLRSNLS-WUKNDPDISA-N. The full InChI is InChI=1S/C11H12N6O2/c1-5-2-3-7(18)6(4-5)16-17-8-9(12)14-11(13)15-10(8)19/h2-4,18H,1H3,(H5,12,13,14,15,19)/b17-16+.
What are the key properties of 2,4-diamino-5-[(2-hydroxy-5-methylphenyl)diazenyl]-1H-pyrimidin-6-one?
2,4-diamino-5-[(2-hydroxy-5-methylphenyl)diazenyl]-1H-pyrimidin-6-one has a molecular weight of 260.26 g/mol, XLogP of 1.36, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-5-[(2-hydroxy-5-methylphenyl)diazenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135973222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).