4-hydroxy-2-methylsulfanyl-5-phenyldiazenyl-1H-pyrimidin-6-one

C11H10N4O2S — CID 135502917

IUPAC4-hydroxy-2-methylsulfanyl-5-phenyldiazenyl-1H-pyrimidin-6-one
SMILESCSc1nc(O)c(/N=N/c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C11H10N4O2S/c1-18-11-12-9(16)8(10(17)13-11)15-14-7-5-3-2-4-6-7/h2-6H,1H3,(H2,12,13,16,17)/b15-14+
InChIKeyYWTUIQPXEGMJQK-CCEZHUSRSA-N
MW262.29 g/mol
LogP2.61
Rot. Bonds3

About 4-hydroxy-2-methylsulfanyl-5-phenyldiazenyl-1H-pyrimidin-6-one

4-hydroxy-2-methylsulfanyl-5-phenyldiazenyl-1H-pyrimidin-6-one (PubChem CID 135502917) has the molecular formula C11H10N4O2S and a molecular weight of 262.29 g/mol. Its IUPAC name is 4-hydroxy-2-methylsulfanyl-5-phenyldiazenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-methylsulfanyl-5-phenyldiazenyl-1H-pyrimidin-6-one
PubChem CID135502917
Molecular FormulaC11H10N4O2S
Molecular Weight262.29 g/mol
Exact Mass262.05
IUPAC Name4-hydroxy-2-methylsulfanyl-5-phenyldiazenyl-1H-pyrimidin-6-one
SMILESCSc1nc(O)c(/N=N/c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C11H10N4O2S/c1-18-11-12-9(16)8(10(17)13-11)15-14-7-5-3-2-4-6-7/h2-6H,1H3,(H2,12,13,16,17)/b15-14+
InChIKeyYWTUIQPXEGMJQK-CCEZHUSRSA-N
XLogP2.61
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.61
H-Bond Donors ≤ 52
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 4-hydroxy-2-methylsulfanyl-5-phenyldiazenyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-methylsulfanyl-5-phenyldiazenyl-1H-pyrimidin-6-one (CID 135502917) is 4-hydroxy-2-methylsulfanyl-5-phenyldiazenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-methylsulfanyl-5-phenyldiazenyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-methylsulfanyl-5-phenyldiazenyl-1H-pyrimidin-6-one is CSc1nc(O)c(/N=N/c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 4-hydroxy-2-methylsulfanyl-5-phenyldiazenyl-1H-pyrimidin-6-one?
The InChIKey is YWTUIQPXEGMJQK-CCEZHUSRSA-N. The full InChI is InChI=1S/C11H10N4O2S/c1-18-11-12-9(16)8(10(17)13-11)15-14-7-5-3-2-4-6-7/h2-6H,1H3,(H2,12,13,16,17)/b15-14+.
What are the key properties of 4-hydroxy-2-methylsulfanyl-5-phenyldiazenyl-1H-pyrimidin-6-one?
4-hydroxy-2-methylsulfanyl-5-phenyldiazenyl-1H-pyrimidin-6-one has a molecular weight of 262.29 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methylsulfanyl-5-phenyldiazenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135502917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).