3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)phenol

C13H12N2O2 — CID 62831524

IUPAC3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)phenol
SMILESOc1cccc(Oc2ncnc3c2CCC3)c1
InChIInChI=1S/C13H12N2O2/c16-9-3-1-4-10(7-9)17-13-11-5-2-6-12(11)14-8-15-13/h1,3-4,7-8,16H,2,5-6H2
InChIKeyYYHXWFURUWGEBV-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.46
Rot. Bonds2

About 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)phenol

3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)phenol (PubChem CID 62831524) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)phenol.

Molecular Properties

Compound Name3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)phenol
PubChem CID62831524
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)phenol
SMILESOc1cccc(Oc2ncnc3c2CCC3)c1
InChIInChI=1S/C13H12N2O2/c16-9-3-1-4-10(7-9)17-13-11-5-2-6-12(11)14-8-15-13/h1,3-4,7-8,16H,2,5-6H2
InChIKeyYYHXWFURUWGEBV-UHFFFAOYSA-N
XLogP2.46
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)phenol?
The IUPAC name of 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)phenol (CID 62831524) is 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)phenol.
What is the SMILES notation for 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)phenol?
The canonical SMILES for 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)phenol is Oc1cccc(Oc2ncnc3c2CCC3)c1.
What is the InChIKey of 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)phenol?
The InChIKey is YYHXWFURUWGEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c16-9-3-1-4-10(7-9)17-13-11-5-2-6-12(11)14-8-15-13/h1,3-4,7-8,16H,2,5-6H2.
What are the key properties of 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)phenol?
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)phenol has a molecular weight of 228.25 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yloxy)phenol is sourced from PubChem (CID 62831524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).