N-[2-(5-bromo-2-fluorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine

C15H17BrFN3 — CID 62601188

IUPACN-[2-(5-bromo-2-fluorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cc(Br)ccc1F)c1ncccn1
InChIInChI=1S/C15H17BrFN3/c1-2-6-18-14(15-19-7-3-8-20-15)10-11-9-12(16)4-5-13(11)17/h3-5,7-9,14,18H,2,6,10H2,1H3
InChIKeyQCLAXHQUXFQZFE-UHFFFAOYSA-N
MW338.22 g/mol
LogP3.66
Rot. Bonds6

About N-[2-(5-bromo-2-fluorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine

N-[2-(5-bromo-2-fluorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine (PubChem CID 62601188) has the molecular formula C15H17BrFN3 and a molecular weight of 338.22 g/mol. Its IUPAC name is N-[2-(5-bromo-2-fluorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-bromo-2-fluorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
PubChem CID62601188
Molecular FormulaC15H17BrFN3
Molecular Weight338.22 g/mol
Exact Mass337.06
IUPAC NameN-[2-(5-bromo-2-fluorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cc(Br)ccc1F)c1ncccn1
InChIInChI=1S/C15H17BrFN3/c1-2-6-18-14(15-19-7-3-8-20-15)10-11-9-12(16)4-5-13(11)17/h3-5,7-9,14,18H,2,6,10H2,1H3
InChIKeyQCLAXHQUXFQZFE-UHFFFAOYSA-N
XLogP3.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-2-fluorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine?
The IUPAC name of N-[2-(5-bromo-2-fluorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine (CID 62601188) is N-[2-(5-bromo-2-fluorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-bromo-2-fluorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-bromo-2-fluorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine is CCCNC(Cc1cc(Br)ccc1F)c1ncccn1.
What is the InChIKey of N-[2-(5-bromo-2-fluorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine?
The InChIKey is QCLAXHQUXFQZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFN3/c1-2-6-18-14(15-19-7-3-8-20-15)10-11-9-12(16)4-5-13(11)17/h3-5,7-9,14,18H,2,6,10H2,1H3.
What are the key properties of N-[2-(5-bromo-2-fluorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine?
N-[2-(5-bromo-2-fluorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine has a molecular weight of 338.22 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-2-fluorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine is sourced from PubChem (CID 62601188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).