7-(4-hydroxyphenyl)-3H-pteridin-4-one

C12H8N4O2 — CID 135538154

IUPAC7-(4-hydroxyphenyl)-3H-pteridin-4-one
SMILESO=c1[nH]cnc2nc(-c3ccc(O)cc3)cnc12
InChIInChI=1S/C12H8N4O2/c17-8-3-1-7(2-4-8)9-5-13-10-11(16-9)14-6-15-12(10)18/h1-6,17H,(H,14,15,16,18)
InChIKeyVFCHWSVXSVXHCO-UHFFFAOYSA-N
MW240.22 g/mol
LogP1.09
Rot. Bonds1

About 7-(4-hydroxyphenyl)-3H-pteridin-4-one

7-(4-hydroxyphenyl)-3H-pteridin-4-one (PubChem CID 135538154) has the molecular formula C12H8N4O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 7-(4-hydroxyphenyl)-3H-pteridin-4-one.

Molecular Properties

Compound Name7-(4-hydroxyphenyl)-3H-pteridin-4-one
PubChem CID135538154
Molecular FormulaC12H8N4O2
Molecular Weight240.22 g/mol
Exact Mass240.06
IUPAC Name7-(4-hydroxyphenyl)-3H-pteridin-4-one
SMILESO=c1[nH]cnc2nc(-c3ccc(O)cc3)cnc12
InChIInChI=1S/C12H8N4O2/c17-8-3-1-7(2-4-8)9-5-13-10-11(16-9)14-6-15-12(10)18/h1-6,17H,(H,14,15,16,18)
InChIKeyVFCHWSVXSVXHCO-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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Related Compounds

Coelenteramide
CID 448487
7-(4-Methoxyphenyl)-2,4-pteridinediol
CID 5409710
6-(4-methoxyphenyl)-4(3H)-pteridinone
CID 135473443
8-(Butyl)-1-methyl-7-p-hydroxyphenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
CID 44478400
3-amino-6-(4-hydroxyphenyl)-N-phenylpyrazine-2-carboxamide
CID 135980525
3-(cyclohexylmethyl)-5-(4-hydroxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one
CID 136042294
Pteridin-4(3H)-one, 6-(4-hydroxyphenyl)-
CID 135516264
(2S)-2-[[2-[(2-amino-4-oxo-3H-pteridine-7-carbonyl)amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 136235560
2-Amino-6,7-bis(3-hydroxyphenyl)pteridin-4-ol
CID 135750206
4-(5-Amino-6-(phenylmethyl)-2-pyrazinyl)phenol
CID 193743
6-(3-hydroxyphenethylamino)-N-(cyclopropylmethyl)pyrazine-2-carboxamide
CID 44438594
3-amino-6-(3-hydroxyphenyl)-N-phenylpyrazine-2-carboxamide
CID 52937359

Frequently Asked Questions

What is the IUPAC name of 7-(4-hydroxyphenyl)-3H-pteridin-4-one?
The IUPAC name of 7-(4-hydroxyphenyl)-3H-pteridin-4-one (CID 135538154) is 7-(4-hydroxyphenyl)-3H-pteridin-4-one.
What is the SMILES notation for 7-(4-hydroxyphenyl)-3H-pteridin-4-one?
The canonical SMILES for 7-(4-hydroxyphenyl)-3H-pteridin-4-one is O=c1[nH]cnc2nc(-c3ccc(O)cc3)cnc12.
What is the InChIKey of 7-(4-hydroxyphenyl)-3H-pteridin-4-one?
The InChIKey is VFCHWSVXSVXHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O2/c17-8-3-1-7(2-4-8)9-5-13-10-11(16-9)14-6-15-12(10)18/h1-6,17H,(H,14,15,16,18).
What are the key properties of 7-(4-hydroxyphenyl)-3H-pteridin-4-one?
7-(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 7-(4-hydroxyphenyl)-3H-pteridin-4-one is sourced from PubChem (CID 135538154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).