3-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propan-1-amine

C13H13BrFN3 — CID 116898107

IUPAC3-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propan-1-amine
SMILESNCCCc1nccc(-c2cc(Br)ccc2F)n1
InChIInChI=1S/C13H13BrFN3/c14-9-3-4-11(15)10(8-9)12-5-7-17-13(18-12)2-1-6-16/h3-5,7-8H,1-2,6,16H2
InChIKeyZNVIODRIKUKJHM-UHFFFAOYSA-N
MW310.17 g/mol
LogP2.94
Rot. Bonds4

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

3-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propan-1-amine (PubChem CID 116898107) has the molecular formula C13H13BrFN3 and a molecular weight of 310.17 g/mol. Its IUPAC name is 3-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propan-1-amine
PubChem CID116898107
Molecular FormulaC13H13BrFN3
Molecular Weight310.17 g/mol
Exact Mass309.03
IUPAC Name3-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propan-1-amine
SMILESNCCCc1nccc(-c2cc(Br)ccc2F)n1
InChIInChI=1S/C13H13BrFN3/c14-9-3-4-11(15)10(8-9)12-5-7-17-13(18-12)2-1-6-16/h3-5,7-8H,1-2,6,16H2
InChIKeyZNVIODRIKUKJHM-UHFFFAOYSA-N
XLogP2.94
TPSA51.80 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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]propan-1-amine
CID 116892899
2-(5-bromo-2-fluorophenyl)-4-fluoropyridine
CID 102824499
1-[1-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]cyclopropyl]-N-methylmethanamine
CID 116902604
3-[4-(4-methylsulfanylphenyl)pyrimidin-2-yl]propan-1-amine
CID 116898098
2-[4-(2,5-difluoro-4-methoxyphenyl)pyrimidin-2-yl]ethanamine
CID 116897723
2-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propanoic acid
CID 116899938
4-(5-bromo-2-fluorophenyl)-6-chloro-2-propylpyrimidine
CID 80945263
6-(5-bromo-2-fluorophenyl)-N-methyl-2-propylpyrimidin-4-amine
CID 80946081
2-(5-bromo-2-fluorophenyl)-6-chloropyridine
CID 79742890
1-[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]propan-2-one
CID 116901604
3-[4-(2-bromophenyl)pyrimidin-2-yl]propan-1-ol
CID 116899714
3-(7-bromo-4-methylquinazolin-2-yl)propan-1-amine
CID 84811803

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propan-1-amine?
The IUPAC name of 3-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propan-1-amine (CID 116898107) is 3-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propan-1-amine?
The canonical SMILES for 3-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propan-1-amine is NCCCc1nccc(-c2cc(Br)ccc2F)n1.
What is the InChIKey of 3-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propan-1-amine?
The InChIKey is ZNVIODRIKUKJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3/c14-9-3-4-11(15)10(8-9)12-5-7-17-13(18-12)2-1-6-16/h3-5,7-8H,1-2,6,16H2.
What are the key properties of 3-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propan-1-amine?
3-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propan-1-amine has a molecular weight of 310.17 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propan-1-amine is sourced from PubChem (CID 116898107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).