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

C21H18FN3O2 — CID 141307885

IUPAC5-(2-fluorophenoxy)-2-(4-methoxy-3,5-dimethylphenyl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCOc1c(C)cc(-c2ncc3c(Oc4ccccc4F)c[nH]c3n2)cc1C
InChIInChI=1S/C21H18FN3O2/c1-12-8-14(9-13(2)19(12)26-3)20-23-10-15-18(11-24-21(15)25-20)27-17-7-5-4-6-16(17)22/h4-11H,1-3H3,(H,23,24,25)
InChIKeyZCUOLJAZJZVABD-UHFFFAOYSA-N
MW363.39 g/mol
LogP5.18
Rot. Bonds4

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

5-(2-fluorophenoxy)-2-(4-methoxy-3,5-dimethylphenyl)-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 141307885) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is 5-(2-fluorophenoxy)-2-(4-methoxy-3,5-dimethylphenyl)-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-(2-fluorophenoxy)-2-(4-methoxy-3,5-dimethylphenyl)-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID141307885
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC Name5-(2-fluorophenoxy)-2-(4-methoxy-3,5-dimethylphenyl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCOc1c(C)cc(-c2ncc3c(Oc4ccccc4F)c[nH]c3n2)cc1C
InChIInChI=1S/C21H18FN3O2/c1-12-8-14(9-13(2)19(12)26-3)20-23-10-15-18(11-24-21(15)25-20)27-17-7-5-4-6-16(17)22/h4-11H,1-3H3,(H,23,24,25)
InChIKeyZCUOLJAZJZVABD-UHFFFAOYSA-N
XLogP5.18
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.39
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2-fluorophenoxy)-2-(4-methoxy-3,5-dimethylphenyl)-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-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 141307898
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
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3,4,5-trimethoxybenzamide
CID 122303234
1,2-bis[2-[2-(2-fluorophenoxy)phenoxy]phenoxy]benzene
CID 22338502
2-(2-fluorophenoxy)-4,6-dimethylpyrimidine
CID 671376
2-(2-fluorophenoxy)-6-methylaniline
CID 20513508
6-(2-fluorophenoxy)-2-(4-fluorophenyl)-7H-purine
CID 71070341
ethane;[6-(2-fluorophenoxy)-4-methyl-3-pyridinyl]hydrazine
CID 145211137
4-(2-fluorophenoxy)-1H-pyrrolo[2,3-b]pyridine
CID 141134187
2-[6-(2-fluorophenoxy)-5-methyl-2-pyridinyl]quinazoline
CID 67688968
1-[4-(2-fluorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine
CID 81250425

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenoxy)-2-(4-methoxy-3,5-dimethylphenyl)-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 5-(2-fluorophenoxy)-2-(4-methoxy-3,5-dimethylphenyl)-7H-pyrrolo[2,3-d]pyrimidine (CID 141307885) is 5-(2-fluorophenoxy)-2-(4-methoxy-3,5-dimethylphenyl)-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 5-(2-fluorophenoxy)-2-(4-methoxy-3,5-dimethylphenyl)-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 5-(2-fluorophenoxy)-2-(4-methoxy-3,5-dimethylphenyl)-7H-pyrrolo[2,3-d]pyrimidine is COc1c(C)cc(-c2ncc3c(Oc4ccccc4F)c[nH]c3n2)cc1C.
What is the InChIKey of 5-(2-fluorophenoxy)-2-(4-methoxy-3,5-dimethylphenyl)-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is ZCUOLJAZJZVABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c1-12-8-14(9-13(2)19(12)26-3)20-23-10-15-18(11-24-21(15)25-20)27-17-7-5-4-6-16(17)22/h4-11H,1-3H3,(H,23,24,25).
What are the key properties of 5-(2-fluorophenoxy)-2-(4-methoxy-3,5-dimethylphenyl)-7H-pyrrolo[2,3-d]pyrimidine?
5-(2-fluorophenoxy)-2-(4-methoxy-3,5-dimethylphenyl)-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 363.39 g/mol, XLogP of 5.18, 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-3,5-dimethylphenyl)-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 141307885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).