1H-perimidine-4,6-diol

C11H8N2O2 — CID 154338684

IUPAC1H-perimidine-4,6-diol
SMILESOc1cc(O)c2cccc3c2c1N=CN3
InChIInChI=1S/C11H8N2O2/c14-8-4-9(15)11-10-6(8)2-1-3-7(10)12-5-13-11/h1-5,14-15H,(H,12,13)
InChIKeyWRROVDSQNQEADR-UHFFFAOYSA-N
MW200.20 g/mol
LogP2.34
Rot. Bonds

About 1H-perimidine-4,6-diol

1H-perimidine-4,6-diol (PubChem CID 154338684) has the molecular formula C11H8N2O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is 1H-perimidine-4,6-diol.

Molecular Properties

Compound Name1H-perimidine-4,6-diol
PubChem CID154338684
Molecular FormulaC11H8N2O2
Molecular Weight200.20 g/mol
Exact Mass200.06
IUPAC Name1H-perimidine-4,6-diol
SMILESOc1cc(O)c2cccc3c2c1N=CN3
InChIInChI=1S/C11H8N2O2/c14-8-4-9(15)11-10-6(8)2-1-3-7(10)12-5-13-11/h1-5,14-15H,(H,12,13)
InChIKeyWRROVDSQNQEADR-UHFFFAOYSA-N
XLogP2.34
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_A(25)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1H-perimidine-4,6-diol?
The IUPAC name of 1H-perimidine-4,6-diol (CID 154338684) is 1H-perimidine-4,6-diol.
What is the SMILES notation for 1H-perimidine-4,6-diol?
The canonical SMILES for 1H-perimidine-4,6-diol is Oc1cc(O)c2cccc3c2c1N=CN3.
What is the InChIKey of 1H-perimidine-4,6-diol?
The InChIKey is WRROVDSQNQEADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2/c14-8-4-9(15)11-10-6(8)2-1-3-7(10)12-5-13-11/h1-5,14-15H,(H,12,13).
What are the key properties of 1H-perimidine-4,6-diol?
1H-perimidine-4,6-diol has a molecular weight of 200.20 g/mol, XLogP of 2.34, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-perimidine-4,6-diol is sourced from PubChem (CID 154338684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).