3-hydroxy-5-(4-hydroxyphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-one

C18H13N3O3 — CID 166138087

IUPAC3-hydroxy-5-(4-hydroxyphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1c2c(-c3ccc(O)cc3)cn(-c3ccccc3)c2ncn1O
InChIInChI=1S/C18H13N3O3/c22-14-8-6-12(7-9-14)15-10-20(13-4-2-1-3-5-13)17-16(15)18(23)21(24)11-19-17/h1-11,22,24H
InChIKeyGWHRGDCWEBGRIF-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.80
Rot. Bonds2

About 3-hydroxy-5-(4-hydroxyphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-one

3-hydroxy-5-(4-hydroxyphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 166138087) has the molecular formula C18H13N3O3 and a molecular weight of 319.32 g/mol. Its IUPAC name is 3-hydroxy-5-(4-hydroxyphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-hydroxy-5-(4-hydroxyphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-one
PubChem CID166138087
Molecular FormulaC18H13N3O3
Molecular Weight319.32 g/mol
Exact Mass319.10
IUPAC Name3-hydroxy-5-(4-hydroxyphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1c2c(-c3ccc(O)cc3)cn(-c3ccccc3)c2ncn1O
InChIInChI=1S/C18H13N3O3/c22-14-8-6-12(7-9-14)15-10-20(13-4-2-1-3-5-13)17-16(15)18(23)21(24)11-19-17/h1-11,22,24H
InChIKeyGWHRGDCWEBGRIF-UHFFFAOYSA-N
XLogP2.80
TPSA80.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-(4-hydroxyphenyl)-3-methyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-one
CID 166138074
4-(4-methoxy-7-phenylpyrrolo[2,3-d]pyrimidin-5-yl)phenol
CID 166138070
2,4-bis(4-hydroxyphenyl)isoquinolin-1-one
CID 144586791
7-(4-iodophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135419385
12-(4-methoxyphenyl)-10-phenyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 2755490
5-(3-methylphenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 158755059
5-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 138556020
7-(3-chloro-4-fluorophenyl)-3-ethyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-one
CID 139219379
5-[2-(3-hydroxyazetidin-1-yl)pyrimidin-5-yl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 146671191
5-[4-[(2S)-1-methoxypropan-2-yl]oxyphenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 155247476
2-(4-hydroxyphenyl)-4-(4-methoxyphenyl)isoquinolin-1-one
CID 144586778
3-(hydroxymethyl)-5-[4-(3-hydroxy-3-methylbutoxy)phenyl]-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-4-one
CID 167359918

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-(4-hydroxyphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-hydroxy-5-(4-hydroxyphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-one (CID 166138087) is 3-hydroxy-5-(4-hydroxyphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-hydroxy-5-(4-hydroxyphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-hydroxy-5-(4-hydroxyphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-one is O=c1c2c(-c3ccc(O)cc3)cn(-c3ccccc3)c2ncn1O.
What is the InChIKey of 3-hydroxy-5-(4-hydroxyphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is GWHRGDCWEBGRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3/c22-14-8-6-12(7-9-14)15-10-20(13-4-2-1-3-5-13)17-16(15)18(23)21(24)11-19-17/h1-11,22,24H.
What are the key properties of 3-hydroxy-5-(4-hydroxyphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-one?
3-hydroxy-5-(4-hydroxyphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 319.32 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-(4-hydroxyphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 166138087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).