ethane;3-fluoro-4-[(6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]aniline

C20H19FN4O — CID 143171765

IUPACethane;3-fluoro-4-[(6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]aniline
SMILESCC.Nc1ccc(Oc2ncnc3cc(-c4ccccc4)[nH]c23)c(F)c1
InChIInChI=1S/C18H13FN4O.C2H6/c19-13-8-12(20)6-7-16(13)24-18-17-15(21-10-22-18)9-14(23-17)11-4-2-1-3-5-11;1-2/h1-10,23H,20H2;1-2H3
InChIKeyDYQOFVURUMKUFA-UHFFFAOYSA-N
MW350.40 g/mol
LogP5.16
Rot. Bonds3

About ethane;3-fluoro-4-[(6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]aniline

ethane;3-fluoro-4-[(6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]aniline (PubChem CID 143171765) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is ethane;3-fluoro-4-[(6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]aniline.

Molecular Properties

Compound Nameethane;3-fluoro-4-[(6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]aniline
PubChem CID143171765
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Nameethane;3-fluoro-4-[(6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]aniline
SMILESCC.Nc1ccc(Oc2ncnc3cc(-c4ccccc4)[nH]c23)c(F)c1
InChIInChI=1S/C18H13FN4O.C2H6/c19-13-8-12(20)6-7-16(13)24-18-17-15(21-10-22-18)9-14(23-17)11-4-2-1-3-5-11;1-2/h1-10,23H,20H2;1-2H3
InChIKeyDYQOFVURUMKUFA-UHFFFAOYSA-N
XLogP5.16
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.40
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethane;3-fluoro-4-[(6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]aniline 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

4-(4-amino-2-fluorophenoxy)-6-methoxyquinazolin-7-ol;ethane
CID 144548495
ethane;3-fluoro-4-(5-methylpyrimidin-4-yl)oxyaniline
CID 171509261
4-(4-amino-2-fluorophenoxy)-3-phenylpyridin-2-amine
CID 169150219
3-fluoro-4-(3-methylquinoxalin-2-yl)oxyaniline
CID 62375219
3-fluoro-4-[5-(methoxymethyl)pyrrolo[3,2-d]pyrimidin-4-yl]oxyaniline
CID 59424634
4-[(2-chloro-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]aniline
CID 95929512
3-fluoro-4-[(3-phenyl-4-pyridinyl)oxy]aniline
CID 89231827
2-fluoro-4-[(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]aniline
CID 58931204
ethyl 2-[[6-(4-fluorophenyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]oxy]-3-(2-methoxyphenyl)propanoate
CID 175660285
4-(2,3-difluorophenoxy)quinazolin-7-amine
CID 65336135
4-(2-aminophenoxy)-3-fluoroaniline
CID 66486737
6-(3-aminophenyl)-N-[4-[(3-fluorophenyl)methoxy]-3-methylphenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 69087263

Frequently Asked Questions

What is the IUPAC name of ethane;3-fluoro-4-[(6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]aniline?
The IUPAC name of ethane;3-fluoro-4-[(6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]aniline (CID 143171765) is ethane;3-fluoro-4-[(6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]aniline.
What is the SMILES notation for ethane;3-fluoro-4-[(6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]aniline?
The canonical SMILES for ethane;3-fluoro-4-[(6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]aniline is CC.Nc1ccc(Oc2ncnc3cc(-c4ccccc4)[nH]c23)c(F)c1.
What is the InChIKey of ethane;3-fluoro-4-[(6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]aniline?
The InChIKey is DYQOFVURUMKUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O.C2H6/c19-13-8-12(20)6-7-16(13)24-18-17-15(21-10-22-18)9-14(23-17)11-4-2-1-3-5-11;1-2/h1-10,23H,20H2;1-2H3.
What are the key properties of ethane;3-fluoro-4-[(6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]aniline?
ethane;3-fluoro-4-[(6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]aniline has a molecular weight of 350.40 g/mol, XLogP of 5.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-fluoro-4-[(6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]aniline is sourced from PubChem (CID 143171765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).