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

C14H15BrFN3 — CID 116892899

IUPAC3-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]propan-1-amine
SMILESCc1cc(-c2cc(Br)ccc2F)nc(CCCN)n1
InChIInChI=1S/C14H15BrFN3/c1-9-7-13(19-14(18-9)3-2-6-17)11-8-10(15)4-5-12(11)16/h4-5,7-8H,2-3,6,17H2,1H3
InChIKeyJHUKMSDOCQKOMN-UHFFFAOYSA-N
MW324.20 g/mol
LogP3.24
Rot. Bonds4

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

3-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]propan-1-amine (PubChem CID 116892899) has the molecular formula C14H15BrFN3 and a molecular weight of 324.20 g/mol. Its IUPAC name is 3-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]propan-1-amine
PubChem CID116892899
Molecular FormulaC14H15BrFN3
Molecular Weight324.20 g/mol
Exact Mass323.04
IUPAC Name3-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]propan-1-amine
SMILESCc1cc(-c2cc(Br)ccc2F)nc(CCCN)n1
InChIInChI=1S/C14H15BrFN3/c1-9-7-13(19-14(18-9)3-2-6-17)11-8-10(15)4-5-12(11)16/h4-5,7-8H,2-3,6,17H2,1H3
InChIKeyJHUKMSDOCQKOMN-UHFFFAOYSA-N
XLogP3.24
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(5-bromo-2-fluorophenyl)pyrimidin-2-yl]propan-1-amine
CID 116898107
3-[4-(3-bromophenyl)-6-methylpyrimidin-2-yl]propan-1-amine
CID 116892905
2-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]-2-methylpropan-1-amine
CID 116892809
[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]hydrazine
CID 116897173
[4-(5-chloro-2-fluorophenyl)-6-methylpyrimidin-2-yl]methanamine
CID 82481340
4-(5-bromo-2-fluorophenyl)-6-chloro-2-propylpyrimidine
CID 80945263
4-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-6-methylpyrimidine
CID 116893757
[1-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanol
CID 116896019
6-(5-bromo-2-fluorophenyl)-N-methyl-2-propylpyrimidin-4-amine
CID 80946081
6-(5-bromo-2-fluorophenyl)-2-methylpyrimidin-4-amine
CID 79742709
3-(7-bromo-4-methylquinazolin-2-yl)propan-1-amine
CID 84811803
3-(4-tert-butyl-6-methylpyrimidin-2-yl)propan-1-amine
CID 63318758

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]propan-1-amine?
The IUPAC name of 3-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]propan-1-amine (CID 116892899) is 3-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]propan-1-amine?
The canonical SMILES for 3-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]propan-1-amine is Cc1cc(-c2cc(Br)ccc2F)nc(CCCN)n1.
What is the InChIKey of 3-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]propan-1-amine?
The InChIKey is JHUKMSDOCQKOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3/c1-9-7-13(19-14(18-9)3-2-6-17)11-8-10(15)4-5-12(11)16/h4-5,7-8H,2-3,6,17H2,1H3.
What are the key properties of 3-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]propan-1-amine?
3-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]propan-1-amine has a molecular weight of 324.20 g/mol, XLogP of 3.24, 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)-6-methylpyrimidin-2-yl]propan-1-amine is sourced from PubChem (CID 116892899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).