6-(4-hydroxyphenyl)-3H-pteridin-4-one

C12H8N4O2 — CID 135516264

IUPAC6-(4-hydroxyphenyl)-3H-pteridin-4-one
SMILESO=c1[nH]cnc2ncc(-c3ccc(O)cc3)nc12
InChIInChI=1S/C12H8N4O2/c17-8-3-1-7(2-4-8)9-5-13-11-10(16-9)12(18)15-6-14-11/h1-6,17H,(H,13,14,15,18)
InChIKeyHYSASFYDLUOAEZ-UHFFFAOYSA-N
MW240.22 g/mol
LogP1.09
Rot. Bonds1

About 6-(4-hydroxyphenyl)-3H-pteridin-4-one

6-(4-hydroxyphenyl)-3H-pteridin-4-one (PubChem CID 135516264) has the molecular formula C12H8N4O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 6-(4-hydroxyphenyl)-3H-pteridin-4-one.

Molecular Properties

Compound Name6-(4-hydroxyphenyl)-3H-pteridin-4-one
PubChem CID135516264
Molecular FormulaC12H8N4O2
Molecular Weight240.22 g/mol
Exact Mass240.06
IUPAC Name6-(4-hydroxyphenyl)-3H-pteridin-4-one
SMILESO=c1[nH]cnc2ncc(-c3ccc(O)cc3)nc12
InChIInChI=1S/C12H8N4O2/c17-8-3-1-7(2-4-8)9-5-13-11-10(16-9)12(18)15-6-14-11/h1-6,17H,(H,13,14,15,18)
InChIKeyHYSASFYDLUOAEZ-UHFFFAOYSA-N
XLogP1.09
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxyphenyl)-3H-pteridin-4-one?
The IUPAC name of 6-(4-hydroxyphenyl)-3H-pteridin-4-one (CID 135516264) is 6-(4-hydroxyphenyl)-3H-pteridin-4-one.
What is the SMILES notation for 6-(4-hydroxyphenyl)-3H-pteridin-4-one?
The canonical SMILES for 6-(4-hydroxyphenyl)-3H-pteridin-4-one is O=c1[nH]cnc2ncc(-c3ccc(O)cc3)nc12.
What is the InChIKey of 6-(4-hydroxyphenyl)-3H-pteridin-4-one?
The InChIKey is HYSASFYDLUOAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O2/c17-8-3-1-7(2-4-8)9-5-13-11-10(16-9)12(18)15-6-14-11/h1-6,17H,(H,13,14,15,18).
What are the key properties of 6-(4-hydroxyphenyl)-3H-pteridin-4-one?
6-(4-hydroxyphenyl)-3H-pteridin-4-one has a molecular weight of 240.22 g/mol, XLogP of 1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxyphenyl)-3H-pteridin-4-one is sourced from PubChem (CID 135516264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).