2-(5-bromo-2-fluorophenyl)-N-(4-morpholin-2-ylphenyl)pteridin-4-amine

C22H18BrFN6O — CID 174545589

IUPAC2-(5-bromo-2-fluorophenyl)-N-(4-morpholin-2-ylphenyl)pteridin-4-amine
SMILESFc1ccc(Br)cc1-c1nc(Nc2ccc(C3CNCCO3)cc2)c2nccnc2n1
InChIInChI=1S/C22H18BrFN6O/c23-14-3-6-17(24)16(11-14)20-29-21-19(26-7-8-27-21)22(30-20)28-15-4-1-13(2-5-15)18-12-25-9-10-31-18/h1-8,11,18,25H,9-10,12H2,(H,27,28,29,30)
InChIKeyVMUXCKWSUHZHQW-UHFFFAOYSA-N
MW481.33 g/mol
LogP4.39
Rot. Bonds4

About 2-(5-bromo-2-fluorophenyl)-N-(4-morpholin-2-ylphenyl)pteridin-4-amine

2-(5-bromo-2-fluorophenyl)-N-(4-morpholin-2-ylphenyl)pteridin-4-amine (PubChem CID 174545589) has the molecular formula C22H18BrFN6O and a molecular weight of 481.33 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-N-(4-morpholin-2-ylphenyl)pteridin-4-amine.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-N-(4-morpholin-2-ylphenyl)pteridin-4-amine
PubChem CID174545589
Molecular FormulaC22H18BrFN6O
Molecular Weight481.33 g/mol
Exact Mass480.07
IUPAC Name2-(5-bromo-2-fluorophenyl)-N-(4-morpholin-2-ylphenyl)pteridin-4-amine
SMILESFc1ccc(Br)cc1-c1nc(Nc2ccc(C3CNCCO3)cc2)c2nccnc2n1
InChIInChI=1S/C22H18BrFN6O/c23-14-3-6-17(24)16(11-14)20-29-21-19(26-7-8-27-21)22(30-20)28-15-4-1-13(2-5-15)18-12-25-9-10-31-18/h1-8,11,18,25H,9-10,12H2,(H,27,28,29,30)
InChIKeyVMUXCKWSUHZHQW-UHFFFAOYSA-N
XLogP4.39
TPSA84.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.33
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-N-(4-morpholin-2-ylphenyl)pteridin-4-amine?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-N-(4-morpholin-2-ylphenyl)pteridin-4-amine (CID 174545589) is 2-(5-bromo-2-fluorophenyl)-N-(4-morpholin-2-ylphenyl)pteridin-4-amine.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-N-(4-morpholin-2-ylphenyl)pteridin-4-amine?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-N-(4-morpholin-2-ylphenyl)pteridin-4-amine is Fc1ccc(Br)cc1-c1nc(Nc2ccc(C3CNCCO3)cc2)c2nccnc2n1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-N-(4-morpholin-2-ylphenyl)pteridin-4-amine?
The InChIKey is VMUXCKWSUHZHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrFN6O/c23-14-3-6-17(24)16(11-14)20-29-21-19(26-7-8-27-21)22(30-20)28-15-4-1-13(2-5-15)18-12-25-9-10-31-18/h1-8,11,18,25H,9-10,12H2,(H,27,28,29,30).
What are the key properties of 2-(5-bromo-2-fluorophenyl)-N-(4-morpholin-2-ylphenyl)pteridin-4-amine?
2-(5-bromo-2-fluorophenyl)-N-(4-morpholin-2-ylphenyl)pteridin-4-amine has a molecular weight of 481.33 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-N-(4-morpholin-2-ylphenyl)pteridin-4-amine is sourced from PubChem (CID 174545589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).