2,4-diamino-5-phenyldiazenyl-1H-pyrimidin-6-one

C10H10N6O — CID 135403411

IUPAC2,4-diamino-5-phenyldiazenyl-1H-pyrimidin-6-one
SMILESNc1nc(N)c(/N=N/c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C10H10N6O/c11-8-7(9(17)14-10(12)13-8)16-15-6-4-2-1-3-5-6/h1-5H,(H5,11,12,13,14,17)/b16-15+
InChIKeyMUDXKPHUGKQTPE-FOCLMDBBSA-N
MW230.23 g/mol
LogP1.35
Rot. Bonds2

About 2,4-diamino-5-phenyldiazenyl-1H-pyrimidin-6-one

2,4-diamino-5-phenyldiazenyl-1H-pyrimidin-6-one (PubChem CID 135403411) has the molecular formula C10H10N6O and a molecular weight of 230.23 g/mol. Its IUPAC name is 2,4-diamino-5-phenyldiazenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-diamino-5-phenyldiazenyl-1H-pyrimidin-6-one
PubChem CID135403411
Molecular FormulaC10H10N6O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name2,4-diamino-5-phenyldiazenyl-1H-pyrimidin-6-one
SMILESNc1nc(N)c(/N=N/c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C10H10N6O/c11-8-7(9(17)14-10(12)13-8)16-15-6-4-2-1-3-5-6/h1-5H,(H5,11,12,13,14,17)/b16-15+
InChIKeyMUDXKPHUGKQTPE-FOCLMDBBSA-N
XLogP1.35
TPSA122.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 51.35
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 2,4-diamino-5-phenyldiazenyl-1H-pyrimidin-6-one?
The IUPAC name of 2,4-diamino-5-phenyldiazenyl-1H-pyrimidin-6-one (CID 135403411) is 2,4-diamino-5-phenyldiazenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-diamino-5-phenyldiazenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-diamino-5-phenyldiazenyl-1H-pyrimidin-6-one is Nc1nc(N)c(/N=N/c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 2,4-diamino-5-phenyldiazenyl-1H-pyrimidin-6-one?
The InChIKey is MUDXKPHUGKQTPE-FOCLMDBBSA-N. The full InChI is InChI=1S/C10H10N6O/c11-8-7(9(17)14-10(12)13-8)16-15-6-4-2-1-3-5-6/h1-5H,(H5,11,12,13,14,17)/b16-15+.
What are the key properties of 2,4-diamino-5-phenyldiazenyl-1H-pyrimidin-6-one?
2,4-diamino-5-phenyldiazenyl-1H-pyrimidin-6-one has a molecular weight of 230.23 g/mol, XLogP of 1.35, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-5-phenyldiazenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135403411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).