5-benzyl-4-(4-fluorophenyl)-6-phenylpyrimidin-2-amine

C23H18FN3 — CID 139449767

IUPAC5-benzyl-4-(4-fluorophenyl)-6-phenylpyrimidin-2-amine
SMILESNc1nc(-c2ccccc2)c(Cc2ccccc2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C23H18FN3/c24-19-13-11-18(12-14-19)22-20(15-16-7-3-1-4-8-16)21(26-23(25)27-22)17-9-5-2-6-10-17/h1-14H,15H2,(H2,25,26,27)
InChIKeyFZTDOFXOIIYTFY-UHFFFAOYSA-N
MW355.42 g/mol
LogP5.12
Rot. Bonds4

About 5-benzyl-4-(4-fluorophenyl)-6-phenylpyrimidin-2-amine

5-benzyl-4-(4-fluorophenyl)-6-phenylpyrimidin-2-amine (PubChem CID 139449767) has the molecular formula C23H18FN3 and a molecular weight of 355.42 g/mol. Its IUPAC name is 5-benzyl-4-(4-fluorophenyl)-6-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name5-benzyl-4-(4-fluorophenyl)-6-phenylpyrimidin-2-amine
PubChem CID139449767
Molecular FormulaC23H18FN3
Molecular Weight355.42 g/mol
Exact Mass355.15
IUPAC Name5-benzyl-4-(4-fluorophenyl)-6-phenylpyrimidin-2-amine
SMILESNc1nc(-c2ccccc2)c(Cc2ccccc2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C23H18FN3/c24-19-13-11-18(12-14-19)22-20(15-16-7-3-1-4-8-16)21(26-23(25)27-22)17-9-5-2-6-10-17/h1-14H,15H2,(H2,25,26,27)
InChIKeyFZTDOFXOIIYTFY-UHFFFAOYSA-N
XLogP5.12
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.42
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-(4-fluorophenyl)-6-phenylpyrimidin-2-amine?
The IUPAC name of 5-benzyl-4-(4-fluorophenyl)-6-phenylpyrimidin-2-amine (CID 139449767) is 5-benzyl-4-(4-fluorophenyl)-6-phenylpyrimidin-2-amine.
What is the SMILES notation for 5-benzyl-4-(4-fluorophenyl)-6-phenylpyrimidin-2-amine?
The canonical SMILES for 5-benzyl-4-(4-fluorophenyl)-6-phenylpyrimidin-2-amine is Nc1nc(-c2ccccc2)c(Cc2ccccc2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 5-benzyl-4-(4-fluorophenyl)-6-phenylpyrimidin-2-amine?
The InChIKey is FZTDOFXOIIYTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3/c24-19-13-11-18(12-14-19)22-20(15-16-7-3-1-4-8-16)21(26-23(25)27-22)17-9-5-2-6-10-17/h1-14H,15H2,(H2,25,26,27).
What are the key properties of 5-benzyl-4-(4-fluorophenyl)-6-phenylpyrimidin-2-amine?
5-benzyl-4-(4-fluorophenyl)-6-phenylpyrimidin-2-amine has a molecular weight of 355.42 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-(4-fluorophenyl)-6-phenylpyrimidin-2-amine is sourced from PubChem (CID 139449767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).