7-phenyl-5-(2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine

C27H19N5 — CID 11495297

IUPAC7-phenyl-5-(2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1ccc3ccc(-c4ccccc4)nc3c1)cn2-c1ccccc1
InChIInChI=1S/C27H19N5/c28-26-25-22(16-32(27(25)30-17-29-26)21-9-5-2-6-10-21)20-12-11-19-13-14-23(31-24(19)15-20)18-7-3-1-4-8-18/h1-17H,(H2,28,29,30)
InChIKeyZNNHVDFVYBCDIL-UHFFFAOYSA-N
MW413.48 g/mol
LogP5.88
Rot. Bonds3

About 7-phenyl-5-(2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine

7-phenyl-5-(2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 11495297) has the molecular formula C27H19N5 and a molecular weight of 413.48 g/mol. Its IUPAC name is 7-phenyl-5-(2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-phenyl-5-(2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID11495297
Molecular FormulaC27H19N5
Molecular Weight413.48 g/mol
Exact Mass413.16
IUPAC Name7-phenyl-5-(2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1ccc3ccc(-c4ccccc4)nc3c1)cn2-c1ccccc1
InChIInChI=1S/C27H19N5/c28-26-25-22(16-32(27(25)30-17-29-26)21-9-5-2-6-10-21)20-12-11-19-13-14-23(31-24(19)15-20)18-7-3-1-4-8-18/h1-17H,(H2,28,29,30)
InChIKeyZNNHVDFVYBCDIL-UHFFFAOYSA-N
XLogP5.88
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.48
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(3,5-dimethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 54548436
[3-[4-amino-5-(2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutyl]methyl 4-methylcyclohexa-1,3-diene-1-sulfonate
CID 130348754
3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutan-1-ol;4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]-N-ethylpiperidine-1-carboxamide;1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-(dimethylamino)ethanone;7-phenyl-5-(2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 157185500
3-[4-amino-5-(2-thiophen-2-ylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutan-1-ol
CID 66676437
7-[3-[(dimethylamino)methyl]cyclobutyl]-5-(2-pyridin-2-ylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 66676822
3-[[4-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)phenyl]methylamino]propan-1-ol
CID 70205374
4-[[3-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)phenyl]methylamino]butan-1-ol
CID 54497445
7-[4-(chloromethyl)phenyl]-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 101044608
3-[4-amino-5-(4-chlorophenyl)pyrrolo[2,3-d]pyrimidin-7-yl]benzaldehyde
CID 86676489
N-benzyl-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 3523813
3-[4-amino-5-(2-phenylquinolin-7-yl)pyrrolo[3,2-d]pyrimidin-7-yl]cyclobutan-1-ol
CID 66675899
2-(3,5-dimethylphenyl)-7-phenylquinoline
CID 58162359

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-5-(2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-phenyl-5-(2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 11495297) is 7-phenyl-5-(2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-phenyl-5-(2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-phenyl-5-(2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine is Nc1ncnc2c1c(-c1ccc3ccc(-c4ccccc4)nc3c1)cn2-c1ccccc1.
What is the InChIKey of 7-phenyl-5-(2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is ZNNHVDFVYBCDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N5/c28-26-25-22(16-32(27(25)30-17-29-26)21-9-5-2-6-10-21)20-12-11-19-13-14-23(31-24(19)15-20)18-7-3-1-4-8-18/h1-17H,(H2,28,29,30).
What are the key properties of 7-phenyl-5-(2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
7-phenyl-5-(2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 413.48 g/mol, XLogP of 5.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-5-(2-phenylquinolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 11495297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).