3-[2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine

C15H17BrFN3 — CID 107924268

IUPAC3-[2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
SMILESCc1nc(-c2cc(F)ccc2Br)nc(C)c1CCCN
InChIInChI=1S/C15H17BrFN3/c1-9-12(4-3-7-18)10(2)20-15(19-9)13-8-11(17)5-6-14(13)16/h5-6,8H,3-4,7,18H2,1-2H3
InChIKeyNSXXNKATQOADJZ-UHFFFAOYSA-N
MW338.22 g/mol
LogP3.55
Rot. Bonds4

About 3-[2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine

3-[2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine (PubChem CID 107924268) has the molecular formula C15H17BrFN3 and a molecular weight of 338.22 g/mol. Its IUPAC name is 3-[2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
PubChem CID107924268
Molecular FormulaC15H17BrFN3
Molecular Weight338.22 g/mol
Exact Mass337.06
IUPAC Name3-[2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
SMILESCc1nc(-c2cc(F)ccc2Br)nc(C)c1CCCN
InChIInChI=1S/C15H17BrFN3/c1-9-12(4-3-7-18)10(2)20-15(19-9)13-8-11(17)5-6-14(13)16/h5-6,8H,3-4,7,18H2,1-2H3
InChIKeyNSXXNKATQOADJZ-UHFFFAOYSA-N
XLogP3.55
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]ethanamine
CID 107924270
2-(2-bromo-5-fluorophenyl)-5,6-dimethylpyrimidin-4-amine
CID 114016371
2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidine-5-carboxylic acid
CID 107923864
[2-(2-bromo-5-fluorophenyl)-6-methylpyrimidin-4-yl]hydrazine
CID 107924057
2-(2-bromo-5-fluorophenyl)-4,6-dichloro-5-propylpyrimidine
CID 107923785
[2-(2-bromo-5-fluorophenyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 107924337
3-[2-(2-methoxy-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 106793273
4-amino-2-(2-bromo-5-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid
CID 107924801
2-[5-(3-aminopropyl)-4,6-dimethylpyrimidin-2-yl]phenol
CID 137013044
2-(2-bromo-5-fluorophenyl)-N,6-dimethylpyrimidin-4-amine
CID 107923946
[2-(2-bromo-5-fluorophenyl)-6-methylpyrimidin-4-yl]methanol
CID 107924240
3-[2-(3-chloro-4-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 63088370

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
The IUPAC name of 3-[2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine (CID 107924268) is 3-[2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine.
What is the SMILES notation for 3-[2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
The canonical SMILES for 3-[2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine is Cc1nc(-c2cc(F)ccc2Br)nc(C)c1CCCN.
What is the InChIKey of 3-[2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
The InChIKey is NSXXNKATQOADJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFN3/c1-9-12(4-3-7-18)10(2)20-15(19-9)13-8-11(17)5-6-14(13)16/h5-6,8H,3-4,7,18H2,1-2H3.
What are the key properties of 3-[2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
3-[2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine has a molecular weight of 338.22 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-bromo-5-fluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine is sourced from PubChem (CID 107924268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).