2-amino-6-oxo-5-phenyldiazenyl-1H-pyrimidine-4-carboxylic acid

C11H9N5O3 — CID 135403645

IUPAC2-amino-6-oxo-5-phenyldiazenyl-1H-pyrimidine-4-carboxylic acid
SMILESNc1nc(C(=O)O)c(/N=N/c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C11H9N5O3/c12-11-13-8(10(18)19)7(9(17)14-11)16-15-6-4-2-1-3-5-6/h1-5H,(H,18,19)(H3,12,13,14,17)/b16-15+
InChIKeyDJBAMDNSHMNVMG-FOCLMDBBSA-N
MW259.23 g/mol
LogP1.47
Rot. Bonds3

About 2-amino-6-oxo-5-phenyldiazenyl-1H-pyrimidine-4-carboxylic acid

2-amino-6-oxo-5-phenyldiazenyl-1H-pyrimidine-4-carboxylic acid (PubChem CID 135403645) has the molecular formula C11H9N5O3 and a molecular weight of 259.23 g/mol. Its IUPAC name is 2-amino-6-oxo-5-phenyldiazenyl-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-6-oxo-5-phenyldiazenyl-1H-pyrimidine-4-carboxylic acid
PubChem CID135403645
Molecular FormulaC11H9N5O3
Molecular Weight259.23 g/mol
Exact Mass259.07
IUPAC Name2-amino-6-oxo-5-phenyldiazenyl-1H-pyrimidine-4-carboxylic acid
SMILESNc1nc(C(=O)O)c(/N=N/c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C11H9N5O3/c12-11-13-8(10(18)19)7(9(17)14-11)16-15-6-4-2-1-3-5-6/h1-5H,(H,18,19)(H3,12,13,14,17)/b16-15+
InChIKeyDJBAMDNSHMNVMG-FOCLMDBBSA-N
XLogP1.47
TPSA133.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-amino-6-oxo-5-phenyldiazenyl-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 2-amino-6-oxo-5-phenyldiazenyl-1H-pyrimidine-4-carboxylic acid (CID 135403645) is 2-amino-6-oxo-5-phenyldiazenyl-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-amino-6-oxo-5-phenyldiazenyl-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-amino-6-oxo-5-phenyldiazenyl-1H-pyrimidine-4-carboxylic acid is Nc1nc(C(=O)O)c(/N=N/c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 2-amino-6-oxo-5-phenyldiazenyl-1H-pyrimidine-4-carboxylic acid?
The InChIKey is DJBAMDNSHMNVMG-FOCLMDBBSA-N. The full InChI is InChI=1S/C11H9N5O3/c12-11-13-8(10(18)19)7(9(17)14-11)16-15-6-4-2-1-3-5-6/h1-5H,(H,18,19)(H3,12,13,14,17)/b16-15+.
What are the key properties of 2-amino-6-oxo-5-phenyldiazenyl-1H-pyrimidine-4-carboxylic acid?
2-amino-6-oxo-5-phenyldiazenyl-1H-pyrimidine-4-carboxylic acid has a molecular weight of 259.23 g/mol, XLogP of 1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-oxo-5-phenyldiazenyl-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 135403645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).