7-(4-fluorophenyl)-N-(2-methylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine

C22H21FN4 — CID 3375228

IUPAC7-(4-fluorophenyl)-N-(2-methylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(C)CNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1
InChIInChI=1S/C22H21FN4/c1-15(2)12-24-21-20-19(16-6-4-3-5-7-16)13-27(22(20)26-14-25-21)18-10-8-17(23)9-11-18/h3-11,13-15H,12H2,1-2H3,(H,24,25,26)
InChIKeyJOAIMYMGTVZTAK-UHFFFAOYSA-N
MW360.44 g/mol
LogP5.29
Rot. Bonds5

About 7-(4-fluorophenyl)-N-(2-methylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine

7-(4-fluorophenyl)-N-(2-methylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 3375228) has the molecular formula C22H21FN4 and a molecular weight of 360.44 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-N-(2-methylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(4-fluorophenyl)-N-(2-methylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID3375228
Molecular FormulaC22H21FN4
Molecular Weight360.44 g/mol
Exact Mass360.18
IUPAC Name7-(4-fluorophenyl)-N-(2-methylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(C)CNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1
InChIInChI=1S/C22H21FN4/c1-15(2)12-24-21-20-19(16-6-4-3-5-7-16)13-27(22(20)26-14-25-21)18-10-8-17(23)9-11-18/h3-11,13-15H,12H2,1-2H3,(H,24,25,26)
InChIKeyJOAIMYMGTVZTAK-UHFFFAOYSA-N
XLogP5.29
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.44
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-N-(2-methylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(4-fluorophenyl)-N-(2-methylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine (CID 3375228) is 7-(4-fluorophenyl)-N-(2-methylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(4-fluorophenyl)-N-(2-methylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(4-fluorophenyl)-N-(2-methylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine is CC(C)CNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1.
What is the InChIKey of 7-(4-fluorophenyl)-N-(2-methylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is JOAIMYMGTVZTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4/c1-15(2)12-24-21-20-19(16-6-4-3-5-7-16)13-27(22(20)26-14-25-21)18-10-8-17(23)9-11-18/h3-11,13-15H,12H2,1-2H3,(H,24,25,26).
What are the key properties of 7-(4-fluorophenyl)-N-(2-methylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
7-(4-fluorophenyl)-N-(2-methylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 360.44 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-N-(2-methylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 3375228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).