1-[2-(2-bromo-5-fluorophenyl)pyrimidin-4-yl]propan-2-amine

C13H13BrFN3 — CID 114016403

IUPAC1-[2-(2-bromo-5-fluorophenyl)pyrimidin-4-yl]propan-2-amine
SMILESCC(N)Cc1ccnc(-c2cc(F)ccc2Br)n1
InChIInChI=1S/C13H13BrFN3/c1-8(16)6-10-4-5-17-13(18-10)11-7-9(15)2-3-12(11)14/h2-5,7-8H,6,16H2,1H3
InChIKeyLPPIIZSPDHEPFJ-UHFFFAOYSA-N
MW310.17 g/mol
LogP2.93
Rot. Bonds3

About 1-[2-(2-bromo-5-fluorophenyl)pyrimidin-4-yl]propan-2-amine

1-[2-(2-bromo-5-fluorophenyl)pyrimidin-4-yl]propan-2-amine (PubChem CID 114016403) has the molecular formula C13H13BrFN3 and a molecular weight of 310.17 g/mol. Its IUPAC name is 1-[2-(2-bromo-5-fluorophenyl)pyrimidin-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(2-bromo-5-fluorophenyl)pyrimidin-4-yl]propan-2-amine
PubChem CID114016403
Molecular FormulaC13H13BrFN3
Molecular Weight310.17 g/mol
Exact Mass309.03
IUPAC Name1-[2-(2-bromo-5-fluorophenyl)pyrimidin-4-yl]propan-2-amine
SMILESCC(N)Cc1ccnc(-c2cc(F)ccc2Br)n1
InChIInChI=1S/C13H13BrFN3/c1-8(16)6-10-4-5-17-13(18-10)11-7-9(15)2-3-12(11)14/h2-5,7-8H,6,16H2,1H3
InChIKeyLPPIIZSPDHEPFJ-UHFFFAOYSA-N
XLogP2.93
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2-bromo-5-fluorophenyl)pyrimidin-4-yl]methyl]ethanamine
CID 107924174
1-[2-(3-bromo-4-chlorophenyl)pyrimidin-4-yl]propan-2-amine
CID 113337356
[2-(2-bromo-5-fluorophenyl)pyrimidin-4-yl]hydrazine
CID 107924063
2-(2-bromo-4-fluorophenyl)-4-(chloromethyl)pyrimidine
CID 107282777
(2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 71270516
2-(2-bromo-5-fluorophenyl)pyrimidine-4-carboxylic acid
CID 107924229
1-(7-fluoroquinolin-2-yl)propan-2-amine
CID 82241374
1-[2-(2-methylpyrimidin-4-yl)pyrimidin-4-yl]propan-2-amine
CID 115531275
1-[2-(3,5-dimethoxyphenyl)pyrimidin-4-yl]propan-2-amine
CID 103399718
1-[3-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 107923527
1-(2-pyrazin-2-ylpyrimidin-4-yl)propan-2-amine
CID 62745922
1-[2-(3,4-dimethoxyphenyl)pyrimidin-4-yl]propan-2-amine
CID 62745743

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromo-5-fluorophenyl)pyrimidin-4-yl]propan-2-amine?
The IUPAC name of 1-[2-(2-bromo-5-fluorophenyl)pyrimidin-4-yl]propan-2-amine (CID 114016403) is 1-[2-(2-bromo-5-fluorophenyl)pyrimidin-4-yl]propan-2-amine.
What is the SMILES notation for 1-[2-(2-bromo-5-fluorophenyl)pyrimidin-4-yl]propan-2-amine?
The canonical SMILES for 1-[2-(2-bromo-5-fluorophenyl)pyrimidin-4-yl]propan-2-amine is CC(N)Cc1ccnc(-c2cc(F)ccc2Br)n1.
What is the InChIKey of 1-[2-(2-bromo-5-fluorophenyl)pyrimidin-4-yl]propan-2-amine?
The InChIKey is LPPIIZSPDHEPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3/c1-8(16)6-10-4-5-17-13(18-10)11-7-9(15)2-3-12(11)14/h2-5,7-8H,6,16H2,1H3.
What are the key properties of 1-[2-(2-bromo-5-fluorophenyl)pyrimidin-4-yl]propan-2-amine?
1-[2-(2-bromo-5-fluorophenyl)pyrimidin-4-yl]propan-2-amine has a molecular weight of 310.17 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromo-5-fluorophenyl)pyrimidin-4-yl]propan-2-amine is sourced from PubChem (CID 114016403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).