4-[3,5-bis(4-fluorophenyl)imidazol-4-yl]-N-(4-morpholin-2-ylphenyl)pyrimidin-2-amine

C29H24F2N6O — CID 22722052

IUPAC4-[3,5-bis(4-fluorophenyl)imidazol-4-yl]-N-(4-morpholin-2-ylphenyl)pyrimidin-2-amine
SMILESFc1ccc(-c2ncn(-c3ccc(F)cc3)c2-c2ccnc(Nc3ccc(C4CNCCO4)cc3)n2)cc1
InChIInChI=1S/C29H24F2N6O/c30-21-5-1-20(2-6-21)27-28(37(18-34-27)24-11-7-22(31)8-12-24)25-13-14-33-29(36-25)35-23-9-3-19(4-10-23)26-17-32-15-16-38-26/h1-14,18,26,32H,15-17H2,(H,33,35,36)
InChIKeyZLAHIPODDDZUFU-UHFFFAOYSA-N
MW510.55 g/mol
LogP5.68
Rot. Bonds6

About 4-[3,5-bis(4-fluorophenyl)imidazol-4-yl]-N-(4-morpholin-2-ylphenyl)pyrimidin-2-amine

4-[3,5-bis(4-fluorophenyl)imidazol-4-yl]-N-(4-morpholin-2-ylphenyl)pyrimidin-2-amine (PubChem CID 22722052) has the molecular formula C29H24F2N6O and a molecular weight of 510.55 g/mol. Its IUPAC name is 4-[3,5-bis(4-fluorophenyl)imidazol-4-yl]-N-(4-morpholin-2-ylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3,5-bis(4-fluorophenyl)imidazol-4-yl]-N-(4-morpholin-2-ylphenyl)pyrimidin-2-amine
PubChem CID22722052
Molecular FormulaC29H24F2N6O
Molecular Weight510.55 g/mol
Exact Mass510.20
IUPAC Name4-[3,5-bis(4-fluorophenyl)imidazol-4-yl]-N-(4-morpholin-2-ylphenyl)pyrimidin-2-amine
SMILESFc1ccc(-c2ncn(-c3ccc(F)cc3)c2-c2ccnc(Nc3ccc(C4CNCCO4)cc3)n2)cc1
InChIInChI=1S/C29H24F2N6O/c30-21-5-1-20(2-6-21)27-28(37(18-34-27)24-11-7-22(31)8-12-24)25-13-14-33-29(36-25)35-23-9-3-19(4-10-23)26-17-32-15-16-38-26/h1-14,18,26,32H,15-17H2,(H,33,35,36)
InChIKeyZLAHIPODDDZUFU-UHFFFAOYSA-N
XLogP5.68
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.55
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis(4-fluorophenyl)imidazol-4-yl]-N-(4-morpholin-2-ylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-[3,5-bis(4-fluorophenyl)imidazol-4-yl]-N-(4-morpholin-2-ylphenyl)pyrimidin-2-amine (CID 22722052) is 4-[3,5-bis(4-fluorophenyl)imidazol-4-yl]-N-(4-morpholin-2-ylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[3,5-bis(4-fluorophenyl)imidazol-4-yl]-N-(4-morpholin-2-ylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-[3,5-bis(4-fluorophenyl)imidazol-4-yl]-N-(4-morpholin-2-ylphenyl)pyrimidin-2-amine is Fc1ccc(-c2ncn(-c3ccc(F)cc3)c2-c2ccnc(Nc3ccc(C4CNCCO4)cc3)n2)cc1.
What is the InChIKey of 4-[3,5-bis(4-fluorophenyl)imidazol-4-yl]-N-(4-morpholin-2-ylphenyl)pyrimidin-2-amine?
The InChIKey is ZLAHIPODDDZUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F2N6O/c30-21-5-1-20(2-6-21)27-28(37(18-34-27)24-11-7-22(31)8-12-24)25-13-14-33-29(36-25)35-23-9-3-19(4-10-23)26-17-32-15-16-38-26/h1-14,18,26,32H,15-17H2,(H,33,35,36).
What are the key properties of 4-[3,5-bis(4-fluorophenyl)imidazol-4-yl]-N-(4-morpholin-2-ylphenyl)pyrimidin-2-amine?
4-[3,5-bis(4-fluorophenyl)imidazol-4-yl]-N-(4-morpholin-2-ylphenyl)pyrimidin-2-amine has a molecular weight of 510.55 g/mol, XLogP of 5.68, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis(4-fluorophenyl)imidazol-4-yl]-N-(4-morpholin-2-ylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 22722052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).