2-(5-bromo-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine

C17H10BrFN6 — CID 11962218

IUPAC2-(5-bromo-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine
SMILESFc1ccc(Br)cc1-c1nc(Nc2ccncc2)c2nccnc2n1
InChIInChI=1S/C17H10BrFN6/c18-10-1-2-13(19)12(9-10)15-24-16-14(21-7-8-22-16)17(25-15)23-11-3-5-20-6-4-11/h1-9H,(H,20,22,23,24,25)
InChIKeyXRBXEVWNPYPJJB-UHFFFAOYSA-N
MW397.21 g/mol
LogP4.13
Rot. Bonds3

About 2-(5-bromo-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine

2-(5-bromo-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine (PubChem CID 11962218) has the molecular formula C17H10BrFN6 and a molecular weight of 397.21 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine
PubChem CID11962218
Molecular FormulaC17H10BrFN6
Molecular Weight397.21 g/mol
Exact Mass396.01
IUPAC Name2-(5-bromo-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine
SMILESFc1ccc(Br)cc1-c1nc(Nc2ccncc2)c2nccnc2n1
InChIInChI=1S/C17H10BrFN6/c18-10-1-2-13(19)12(9-10)15-24-16-14(21-7-8-22-16)17(25-15)23-11-3-5-20-6-4-11/h1-9H,(H,20,22,23,24,25)
InChIKeyXRBXEVWNPYPJJB-UHFFFAOYSA-N
XLogP4.13
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.21
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine (CID 11962218) is 2-(5-bromo-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine is Fc1ccc(Br)cc1-c1nc(Nc2ccncc2)c2nccnc2n1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine?
The InChIKey is XRBXEVWNPYPJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrFN6/c18-10-1-2-13(19)12(9-10)15-24-16-14(21-7-8-22-16)17(25-15)23-11-3-5-20-6-4-11/h1-9H,(H,20,22,23,24,25).
What are the key properties of 2-(5-bromo-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine?
2-(5-bromo-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine has a molecular weight of 397.21 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine is sourced from PubChem (CID 11962218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).