5-(2-fluorophenoxy)-2-(4-methoxy-3-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine

C20H16FN3O2 — CID 141307898

IUPAC5-(2-fluorophenoxy)-2-(4-methoxy-3-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCOc1ccc(-c2ncc3c(Oc4ccccc4F)c[nH]c3n2)cc1C
InChIInChI=1S/C20H16FN3O2/c1-12-9-13(7-8-16(12)25-2)19-22-10-14-18(11-23-20(14)24-19)26-17-6-4-3-5-15(17)21/h3-11H,1-2H3,(H,22,23,24)
InChIKeyUCEOGIQFXAQJLX-UHFFFAOYSA-N
MW349.37 g/mol
LogP4.87
Rot. Bonds4

About 5-(2-fluorophenoxy)-2-(4-methoxy-3-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine

5-(2-fluorophenoxy)-2-(4-methoxy-3-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 141307898) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is 5-(2-fluorophenoxy)-2-(4-methoxy-3-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-(2-fluorophenoxy)-2-(4-methoxy-3-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID141307898
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC Name5-(2-fluorophenoxy)-2-(4-methoxy-3-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCOc1ccc(-c2ncc3c(Oc4ccccc4F)c[nH]c3n2)cc1C
InChIInChI=1S/C20H16FN3O2/c1-12-9-13(7-8-16(12)25-2)19-22-10-14-18(11-23-20(14)24-19)26-17-6-4-3-5-15(17)21/h3-11H,1-2H3,(H,22,23,24)
InChIKeyUCEOGIQFXAQJLX-UHFFFAOYSA-N
XLogP4.87
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2-fluorophenoxy)-2-(4-methoxy-3-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-fluorophenoxy)-2-(4-methoxy-3,5-dimethylphenyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 141307885
2-(4-methoxy-3,5-dimethylphenyl)-5-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine
CID 141307903
(2S)-1-[(E)-3-[4-[5-(2-fluorophenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]phenyl]prop-2-enoyl]pyrrolidine-2-carboxylic acid
CID 141307884
5-bromo-2-(4-methoxy-3-methylphenyl)-N-methylpyrimidin-4-amine
CID 66296448
2-(4-methoxy-3-methylphenyl)pyrimidin-5-amine
CID 62133352
5-iodo-2-(4-methoxy-3-methylphenyl)pyrimidin-4-amine
CID 66297619
4-(bromomethyl)-2-(4-methoxy-3-methylphenyl)-5-methylpyrimidine
CID 114245103
3-(4-methoxy-3-methylphenyl)-5-methyl-1H-1,2,4-triazole
CID 50962372
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3,4-dimethoxybenzamide
CID 91968353
2-[(2-fluorophenyl)methyl]-5-(4-methoxy-3-methylphenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28889797
[2-(4-methoxy-3-methylphenyl)-1H-imidazol-5-yl]methanol
CID 63108344
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenoxy)-2-(4-methoxy-3-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 5-(2-fluorophenoxy)-2-(4-methoxy-3-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine (CID 141307898) is 5-(2-fluorophenoxy)-2-(4-methoxy-3-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 5-(2-fluorophenoxy)-2-(4-methoxy-3-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 5-(2-fluorophenoxy)-2-(4-methoxy-3-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine is COc1ccc(-c2ncc3c(Oc4ccccc4F)c[nH]c3n2)cc1C.
What is the InChIKey of 5-(2-fluorophenoxy)-2-(4-methoxy-3-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is UCEOGIQFXAQJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c1-12-9-13(7-8-16(12)25-2)19-22-10-14-18(11-23-20(14)24-19)26-17-6-4-3-5-15(17)21/h3-11H,1-2H3,(H,22,23,24).
What are the key properties of 5-(2-fluorophenoxy)-2-(4-methoxy-3-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine?
5-(2-fluorophenoxy)-2-(4-methoxy-3-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 349.37 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenoxy)-2-(4-methoxy-3-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 141307898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).