7-(4-fluorophenyl)-5-phenyl-N-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-4-amine

C26H21FN4 — CID 4225571

IUPAC7-(4-fluorophenyl)-5-phenyl-N-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESFc1ccc(-n2cc(-c3ccccc3)c3c(NCCc4ccccc4)ncnc32)cc1
InChIInChI=1S/C26H21FN4/c27-21-11-13-22(14-12-21)31-17-23(20-9-5-2-6-10-20)24-25(29-18-30-26(24)31)28-16-15-19-7-3-1-4-8-19/h1-14,17-18H,15-16H2,(H,28,29,30)
InChIKeyVGQPYIHZXOYXCZ-UHFFFAOYSA-N
MW408.48 g/mol
LogP5.88
Rot. Bonds6

About 7-(4-fluorophenyl)-5-phenyl-N-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-4-amine

7-(4-fluorophenyl)-5-phenyl-N-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 4225571) has the molecular formula C26H21FN4 and a molecular weight of 408.48 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-5-phenyl-N-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(4-fluorophenyl)-5-phenyl-N-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID4225571
Molecular FormulaC26H21FN4
Molecular Weight408.48 g/mol
Exact Mass408.18
IUPAC Name7-(4-fluorophenyl)-5-phenyl-N-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESFc1ccc(-n2cc(-c3ccccc3)c3c(NCCc4ccccc4)ncnc32)cc1
InChIInChI=1S/C26H21FN4/c27-21-11-13-22(14-12-21)31-17-23(20-9-5-2-6-10-20)24-25(29-18-30-26(24)31)28-16-15-19-7-3-1-4-8-19/h1-14,17-18H,15-16H2,(H,28,29,30)
InChIKeyVGQPYIHZXOYXCZ-UHFFFAOYSA-N
XLogP5.88
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.48
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-5-phenyl-N-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(4-fluorophenyl)-5-phenyl-N-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 4225571) is 7-(4-fluorophenyl)-5-phenyl-N-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(4-fluorophenyl)-5-phenyl-N-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(4-fluorophenyl)-5-phenyl-N-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-4-amine is Fc1ccc(-n2cc(-c3ccccc3)c3c(NCCc4ccccc4)ncnc32)cc1.
What is the InChIKey of 7-(4-fluorophenyl)-5-phenyl-N-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is VGQPYIHZXOYXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN4/c27-21-11-13-22(14-12-21)31-17-23(20-9-5-2-6-10-20)24-25(29-18-30-26(24)31)28-16-15-19-7-3-1-4-8-19/h1-14,17-18H,15-16H2,(H,28,29,30).
What are the key properties of 7-(4-fluorophenyl)-5-phenyl-N-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
7-(4-fluorophenyl)-5-phenyl-N-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 408.48 g/mol, XLogP of 5.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-5-phenyl-N-(2-phenylethyl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 4225571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).