N-[[2-(2-bromo-5-fluorophenyl)pyrimidin-4-yl]methyl]ethanamine

C13H13BrFN3 — CID 107924174

IUPACN-[[2-(2-bromo-5-fluorophenyl)pyrimidin-4-yl]methyl]ethanamine
SMILESCCNCc1ccnc(-c2cc(F)ccc2Br)n1
InChIInChI=1S/C13H13BrFN3/c1-2-16-8-10-5-6-17-13(18-10)11-7-9(15)3-4-12(11)14/h3-7,16H,2,8H2,1H3
InChIKeyILJRYDXHEHQYQZ-UHFFFAOYSA-N
MW310.17 g/mol
LogP3.15
Rot. Bonds4

About N-[[2-(2-bromo-5-fluorophenyl)pyrimidin-4-yl]methyl]ethanamine

N-[[2-(2-bromo-5-fluorophenyl)pyrimidin-4-yl]methyl]ethanamine (PubChem CID 107924174) has the molecular formula C13H13BrFN3 and a molecular weight of 310.17 g/mol. Its IUPAC name is N-[[2-(2-bromo-5-fluorophenyl)pyrimidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-bromo-5-fluorophenyl)pyrimidin-4-yl]methyl]ethanamine
PubChem CID107924174
Molecular FormulaC13H13BrFN3
Molecular Weight310.17 g/mol
Exact Mass309.03
IUPAC NameN-[[2-(2-bromo-5-fluorophenyl)pyrimidin-4-yl]methyl]ethanamine
SMILESCCNCc1ccnc(-c2cc(F)ccc2Br)n1
InChIInChI=1S/C13H13BrFN3/c1-2-16-8-10-5-6-17-13(18-10)11-7-9(15)3-4-12(11)14/h3-7,16H,2,8H2,1H3
InChIKeyILJRYDXHEHQYQZ-UHFFFAOYSA-N
XLogP3.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-bromo-5-fluorophenyl)pyrimidin-4-yl]propan-2-amine
CID 114016403
N-[[2-(4-bromo-2-methylphenyl)pyrimidin-4-yl]methyl]ethanamine
CID 103083929
N-[[2-(2-ethoxyphenyl)pyrimidin-4-yl]methyl]ethanamine
CID 115534303
N-[[2-(3-bromo-4-methylphenyl)pyrimidin-4-yl]methyl]ethanamine
CID 114015473
[2-(2-bromo-5-fluorophenyl)pyrimidin-4-yl]hydrazine
CID 107924063
2-(2-bromo-5-fluorophenyl)pyrimidine-4-carboxylic acid
CID 107924229
2-(2-bromo-4-fluorophenyl)-4-(chloromethyl)pyrimidine
CID 107282777
N-[[2-(3,4-dichlorophenyl)pyrimidin-4-yl]methyl]ethanamine
CID 81491856
[2-(2-bromo-5-fluorophenyl)-6-methylpyrimidin-4-yl]methanol
CID 107924240
N-[[2-(3-bromo-5-fluorophenyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 66424301
N-[(2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-yl)methyl]ethanamine
CID 81143145
N-[[2-(4-methoxyphenyl)pyrimidin-4-yl]methyl]ethanamine
CID 46785129

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-bromo-5-fluorophenyl)pyrimidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-bromo-5-fluorophenyl)pyrimidin-4-yl]methyl]ethanamine (CID 107924174) is N-[[2-(2-bromo-5-fluorophenyl)pyrimidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-bromo-5-fluorophenyl)pyrimidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-bromo-5-fluorophenyl)pyrimidin-4-yl]methyl]ethanamine is CCNCc1ccnc(-c2cc(F)ccc2Br)n1.
What is the InChIKey of N-[[2-(2-bromo-5-fluorophenyl)pyrimidin-4-yl]methyl]ethanamine?
The InChIKey is ILJRYDXHEHQYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3/c1-2-16-8-10-5-6-17-13(18-10)11-7-9(15)3-4-12(11)14/h3-7,16H,2,8H2,1H3.
What are the key properties of N-[[2-(2-bromo-5-fluorophenyl)pyrimidin-4-yl]methyl]ethanamine?
N-[[2-(2-bromo-5-fluorophenyl)pyrimidin-4-yl]methyl]ethanamine has a molecular weight of 310.17 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-bromo-5-fluorophenyl)pyrimidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 107924174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).