2-(5-bromo-2-fluorophenyl)-N-pyridin-4-yl-1,4-dihydropteridin-4-amine

C17H12BrFN6 — CID 121391405

IUPAC2-(5-bromo-2-fluorophenyl)-N-pyridin-4-yl-1,4-dihydropteridin-4-amine
SMILESFc1ccc(Br)cc1C1=NC(Nc2ccncc2)c2nccnc2N1
InChIInChI=1S/C17H12BrFN6/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/h1-9,17H,(H,20,23)(H,22,24,25)
InChIKeyVDVOHYDZPNFWHD-UHFFFAOYSA-N
MW399.23 g/mol
LogP3.76
Rot. Bonds3

About 2-(5-bromo-2-fluorophenyl)-N-pyridin-4-yl-1,4-dihydropteridin-4-amine

2-(5-bromo-2-fluorophenyl)-N-pyridin-4-yl-1,4-dihydropteridin-4-amine (PubChem CID 121391405) has the molecular formula C17H12BrFN6 and a molecular weight of 399.23 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-N-pyridin-4-yl-1,4-dihydropteridin-4-amine.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-N-pyridin-4-yl-1,4-dihydropteridin-4-amine
PubChem CID121391405
Molecular FormulaC17H12BrFN6
Molecular Weight399.23 g/mol
Exact Mass398.03
IUPAC Name2-(5-bromo-2-fluorophenyl)-N-pyridin-4-yl-1,4-dihydropteridin-4-amine
SMILESFc1ccc(Br)cc1C1=NC(Nc2ccncc2)c2nccnc2N1
InChIInChI=1S/C17H12BrFN6/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/h1-9,17H,(H,20,23)(H,22,24,25)
InChIKeyVDVOHYDZPNFWHD-UHFFFAOYSA-N
XLogP3.76
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.23
LogP ≤ 53.76
H-Bond Donors ≤ 52
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-yl-1,4-dihydropteridin-4-amine?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-N-pyridin-4-yl-1,4-dihydropteridin-4-amine (CID 121391405) is 2-(5-bromo-2-fluorophenyl)-N-pyridin-4-yl-1,4-dihydropteridin-4-amine.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-N-pyridin-4-yl-1,4-dihydropteridin-4-amine?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-N-pyridin-4-yl-1,4-dihydropteridin-4-amine is Fc1ccc(Br)cc1C1=NC(Nc2ccncc2)c2nccnc2N1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-N-pyridin-4-yl-1,4-dihydropteridin-4-amine?
The InChIKey is VDVOHYDZPNFWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrFN6/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/h1-9,17H,(H,20,23)(H,22,24,25).
What are the key properties of 2-(5-bromo-2-fluorophenyl)-N-pyridin-4-yl-1,4-dihydropteridin-4-amine?
2-(5-bromo-2-fluorophenyl)-N-pyridin-4-yl-1,4-dihydropteridin-4-amine has a molecular weight of 399.23 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 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-yl-1,4-dihydropteridin-4-amine is sourced from PubChem (CID 121391405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).