4-(4-methoxy-7-phenylpyrrolo[2,3-d]pyrimidin-5-yl)phenol

C19H15N3O2 — CID 166138070

IUPAC4-(4-methoxy-7-phenylpyrrolo[2,3-d]pyrimidin-5-yl)phenol
SMILESCOc1ncnc2c1c(-c1ccc(O)cc1)cn2-c1ccccc1
InChIInChI=1S/C19H15N3O2/c1-24-19-17-16(13-7-9-15(23)10-8-13)11-22(18(17)20-12-21-19)14-5-3-2-4-6-14/h2-12,23H,1H3
InChIKeyPJJBEOLFRDKXEK-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.80
Rot. Bonds3

About 4-(4-methoxy-7-phenylpyrrolo[2,3-d]pyrimidin-5-yl)phenol

4-(4-methoxy-7-phenylpyrrolo[2,3-d]pyrimidin-5-yl)phenol (PubChem CID 166138070) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-(4-methoxy-7-phenylpyrrolo[2,3-d]pyrimidin-5-yl)phenol.

Molecular Properties

Compound Name4-(4-methoxy-7-phenylpyrrolo[2,3-d]pyrimidin-5-yl)phenol
PubChem CID166138070
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name4-(4-methoxy-7-phenylpyrrolo[2,3-d]pyrimidin-5-yl)phenol
SMILESCOc1ncnc2c1c(-c1ccc(O)cc1)cn2-c1ccccc1
InChIInChI=1S/C19H15N3O2/c1-24-19-17-16(13-7-9-15(23)10-8-13)11-22(18(17)20-12-21-19)14-5-3-2-4-6-14/h2-12,23H,1H3
InChIKeyPJJBEOLFRDKXEK-UHFFFAOYSA-N
XLogP3.80
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-hydroxyphenyl)-3-methyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-one
CID 166138074
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
7-(3,5-dimethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 54548436
3-hydroxy-5-(4-hydroxyphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-one
CID 166138087
N-(2,2-dimethoxyethyl)-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 4125132
N-(2-methoxyethyl)-7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 4053205
1-[4-(5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 16646678
2-[2-[[7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol
CID 4207963
7-(4-methylphenyl)-5-phenyl-N-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
CID 4083194
N-benzyl-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 3523813
N-butyl-7-(4-methoxyphenyl)-N-methyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 3563626
N-cyclohexyl-N-methyl-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 4200447

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-7-phenylpyrrolo[2,3-d]pyrimidin-5-yl)phenol?
The IUPAC name of 4-(4-methoxy-7-phenylpyrrolo[2,3-d]pyrimidin-5-yl)phenol (CID 166138070) is 4-(4-methoxy-7-phenylpyrrolo[2,3-d]pyrimidin-5-yl)phenol.
What is the SMILES notation for 4-(4-methoxy-7-phenylpyrrolo[2,3-d]pyrimidin-5-yl)phenol?
The canonical SMILES for 4-(4-methoxy-7-phenylpyrrolo[2,3-d]pyrimidin-5-yl)phenol is COc1ncnc2c1c(-c1ccc(O)cc1)cn2-c1ccccc1.
What is the InChIKey of 4-(4-methoxy-7-phenylpyrrolo[2,3-d]pyrimidin-5-yl)phenol?
The InChIKey is PJJBEOLFRDKXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-24-19-17-16(13-7-9-15(23)10-8-13)11-22(18(17)20-12-21-19)14-5-3-2-4-6-14/h2-12,23H,1H3.
What are the key properties of 4-(4-methoxy-7-phenylpyrrolo[2,3-d]pyrimidin-5-yl)phenol?
4-(4-methoxy-7-phenylpyrrolo[2,3-d]pyrimidin-5-yl)phenol has a molecular weight of 317.35 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-7-phenylpyrrolo[2,3-d]pyrimidin-5-yl)phenol is sourced from PubChem (CID 166138070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).