2-[(2-hydroxyphenyl)diazenyl]-5,7-dimethyl-3H-pyrrolo[3,2-d]pyrimidin-4-one

C14H13N5O2 — CID 137179137

IUPAC2-[(2-hydroxyphenyl)diazenyl]-5,7-dimethyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
SMILESCc1cn(C)c2c(=O)[nH]c(/N=N/c3ccccc3O)nc12
InChIInChI=1S/C14H13N5O2/c1-8-7-19(2)12-11(8)15-14(16-13(12)21)18-17-9-5-3-4-6-10(9)20/h3-7,20H,1-2H3,(H,15,16,21)/b18-17+
InChIKeyLUNQENLCEDCIAX-ISLYRVAYSA-N
MW283.29 g/mol
LogP2.69
Rot. Bonds2

About 2-[(2-hydroxyphenyl)diazenyl]-5,7-dimethyl-3H-pyrrolo[3,2-d]pyrimidin-4-one

2-[(2-hydroxyphenyl)diazenyl]-5,7-dimethyl-3H-pyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 137179137) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-[(2-hydroxyphenyl)diazenyl]-5,7-dimethyl-3H-pyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(2-hydroxyphenyl)diazenyl]-5,7-dimethyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
PubChem CID137179137
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name2-[(2-hydroxyphenyl)diazenyl]-5,7-dimethyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
SMILESCc1cn(C)c2c(=O)[nH]c(/N=N/c3ccccc3O)nc12
InChIInChI=1S/C14H13N5O2/c1-8-7-19(2)12-11(8)15-14(16-13(12)21)18-17-9-5-3-4-6-10(9)20/h3-7,20H,1-2H3,(H,15,16,21)/b18-17+
InChIKeyLUNQENLCEDCIAX-ISLYRVAYSA-N
XLogP2.69
TPSA95.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.69
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 2-[(2-hydroxyphenyl)diazenyl]-5,7-dimethyl-3H-pyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-[(2-hydroxyphenyl)diazenyl]-5,7-dimethyl-3H-pyrrolo[3,2-d]pyrimidin-4-one (CID 137179137) is 2-[(2-hydroxyphenyl)diazenyl]-5,7-dimethyl-3H-pyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-[(2-hydroxyphenyl)diazenyl]-5,7-dimethyl-3H-pyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-[(2-hydroxyphenyl)diazenyl]-5,7-dimethyl-3H-pyrrolo[3,2-d]pyrimidin-4-one is Cc1cn(C)c2c(=O)[nH]c(/N=N/c3ccccc3O)nc12.
What is the InChIKey of 2-[(2-hydroxyphenyl)diazenyl]-5,7-dimethyl-3H-pyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is LUNQENLCEDCIAX-ISLYRVAYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-8-7-19(2)12-11(8)15-14(16-13(12)21)18-17-9-5-3-4-6-10(9)20/h3-7,20H,1-2H3,(H,15,16,21)/b18-17+.
What are the key properties of 2-[(2-hydroxyphenyl)diazenyl]-5,7-dimethyl-3H-pyrrolo[3,2-d]pyrimidin-4-one?
2-[(2-hydroxyphenyl)diazenyl]-5,7-dimethyl-3H-pyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 283.29 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxyphenyl)diazenyl]-5,7-dimethyl-3H-pyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137179137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).