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

C25H19FN4 — CID 3257208

IUPAC7-(4-fluorophenyl)-N-(2-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccccc1Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1
InChIInChI=1S/C25H19FN4/c1-17-7-5-6-10-22(17)29-24-23-21(18-8-3-2-4-9-18)15-30(25(23)28-16-27-24)20-13-11-19(26)12-14-20/h2-16H,1H3,(H,27,28,29)
InChIKeyKCNWFXKVXRZIGO-UHFFFAOYSA-N
MW394.45 g/mol
LogP6.28
Rot. Bonds4

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

7-(4-fluorophenyl)-N-(2-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 3257208) has the molecular formula C25H19FN4 and a molecular weight of 394.45 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-N-(2-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(4-fluorophenyl)-N-(2-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID3257208
Molecular FormulaC25H19FN4
Molecular Weight394.45 g/mol
Exact Mass394.16
IUPAC Name7-(4-fluorophenyl)-N-(2-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccccc1Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1
InChIInChI=1S/C25H19FN4/c1-17-7-5-6-10-22(17)29-24-23-21(18-8-3-2-4-9-18)15-30(25(23)28-16-27-24)20-13-11-19(26)12-14-20/h2-16H,1H3,(H,27,28,29)
InChIKeyKCNWFXKVXRZIGO-UHFFFAOYSA-N
XLogP6.28
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.45
LogP ≤ 56.28
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-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(4-fluorophenyl)-N-(2-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine (CID 3257208) is 7-(4-fluorophenyl)-N-(2-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(4-fluorophenyl)-N-(2-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(4-fluorophenyl)-N-(2-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine is Cc1ccccc1Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1.
What is the InChIKey of 7-(4-fluorophenyl)-N-(2-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is KCNWFXKVXRZIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4/c1-17-7-5-6-10-22(17)29-24-23-21(18-8-3-2-4-9-18)15-30(25(23)28-16-27-24)20-13-11-19(26)12-14-20/h2-16H,1H3,(H,27,28,29).
What are the key properties of 7-(4-fluorophenyl)-N-(2-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
7-(4-fluorophenyl)-N-(2-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 394.45 g/mol, XLogP of 6.28, 4 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-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 3257208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).