4-(2,3-dihydro-1H-perimidin-2-yl)benzene-1,3-diol

C17H14N2O2 — CID 727028

IUPAC4-(2,3-dihydro-1H-perimidin-2-yl)benzene-1,3-diol
SMILESOc1ccc(C2Nc3cccc4cccc(c34)N2)c(O)c1
InChIInChI=1S/C17H14N2O2/c20-11-7-8-12(15(21)9-11)17-18-13-5-1-3-10-4-2-6-14(19-17)16(10)13/h1-9,17-21H
InChIKeyCDBGSWUVVRUXQM-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.79
Rot. Bonds1

About 4-(2,3-dihydro-1H-perimidin-2-yl)benzene-1,3-diol

4-(2,3-dihydro-1H-perimidin-2-yl)benzene-1,3-diol (PubChem CID 727028) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-perimidin-2-yl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-perimidin-2-yl)benzene-1,3-diol
PubChem CID727028
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name4-(2,3-dihydro-1H-perimidin-2-yl)benzene-1,3-diol
SMILESOc1ccc(C2Nc3cccc4cccc(c34)N2)c(O)c1
InChIInChI=1S/C17H14N2O2/c20-11-7-8-12(15(21)9-11)17-18-13-5-1-3-10-4-2-6-14(19-17)16(10)13/h1-9,17-21H
InChIKeyCDBGSWUVVRUXQM-UHFFFAOYSA-N
XLogP3.79
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'naphth_amino_B(25)', 'substructure': 'N/A'}

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Related Compounds

4-(2,3-Dihydro-1H-perimidin-2-yl)-phenol
CID 256659
1-(2,3-dihydro-1H-perimidin-2-yl)naphthalen-2-ol
CID 668468
4-(2,3-dihydro-1H-perimidin-2-yl)benzene-1,2-diol
CID 761631
5-(diethylamino)-2-(2,3-dihydro-1H-perimidin-2-yl)phenol
CID 660794
2-(2,4,6-trimethoxyphenyl)-2,3-dihydro-1H-perimidine
CID 761632
2-(2,3-dihydro-1H-perimidin-2-yl)phenol
CID 656216
2,6-ditert-butyl-4-(2,3-dihydro-1H-perimidin-2-yl)phenol
CID 2864280
6-(2,4-dihydroxyphenyl)-4,4,6-trimethyl-1-(2-naphthyl)tetrahydro-2(1H)-pyrimidinethione
CID 9549630
2-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1H-perimidine
CID 668467
3-(2,3-Dihydro-1H-perimidin-2-YL)-phenol
CID 727015
4-bromo-2-(2,3-dihydro-1H-perimidin-2-yl)phenol
CID 801157
1,3-Diacetyl-2-{3-[(diethylamino)methyl]-4-hydroxyphenyl}-2,3-dihydroperimidin e
CID 3101738

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-perimidin-2-yl)benzene-1,3-diol?
The IUPAC name of 4-(2,3-dihydro-1H-perimidin-2-yl)benzene-1,3-diol (CID 727028) is 4-(2,3-dihydro-1H-perimidin-2-yl)benzene-1,3-diol.
What is the SMILES notation for 4-(2,3-dihydro-1H-perimidin-2-yl)benzene-1,3-diol?
The canonical SMILES for 4-(2,3-dihydro-1H-perimidin-2-yl)benzene-1,3-diol is Oc1ccc(C2Nc3cccc4cccc(c34)N2)c(O)c1.
What is the InChIKey of 4-(2,3-dihydro-1H-perimidin-2-yl)benzene-1,3-diol?
The InChIKey is CDBGSWUVVRUXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c20-11-7-8-12(15(21)9-11)17-18-13-5-1-3-10-4-2-6-14(19-17)16(10)13/h1-9,17-21H.
What are the key properties of 4-(2,3-dihydro-1H-perimidin-2-yl)benzene-1,3-diol?
4-(2,3-dihydro-1H-perimidin-2-yl)benzene-1,3-diol has a molecular weight of 278.31 g/mol, XLogP of 3.79, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-perimidin-2-yl)benzene-1,3-diol is sourced from PubChem (CID 727028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).