[2-(3-bromo-4-fluorophenyl)pyrimidin-5-yl]methanamine

C11H9BrFN3 — CID 82802967

IUPAC[2-(3-bromo-4-fluorophenyl)pyrimidin-5-yl]methanamine
SMILESNCc1cnc(-c2ccc(F)c(Br)c2)nc1
InChIInChI=1S/C11H9BrFN3/c12-9-3-8(1-2-10(9)13)11-15-5-7(4-14)6-16-11/h1-3,5-6H,4,14H2
InChIKeyAPBQXGMLQGWHSH-UHFFFAOYSA-N
MW282.12 g/mol
LogP2.50
Rot. Bonds2

About [2-(3-bromo-4-fluorophenyl)pyrimidin-5-yl]methanamine

[2-(3-bromo-4-fluorophenyl)pyrimidin-5-yl]methanamine (PubChem CID 82802967) has the molecular formula C11H9BrFN3 and a molecular weight of 282.12 g/mol. Its IUPAC name is [2-(3-bromo-4-fluorophenyl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3-bromo-4-fluorophenyl)pyrimidin-5-yl]methanamine
PubChem CID82802967
Molecular FormulaC11H9BrFN3
Molecular Weight282.12 g/mol
Exact Mass281.00
IUPAC Name[2-(3-bromo-4-fluorophenyl)pyrimidin-5-yl]methanamine
SMILESNCc1cnc(-c2ccc(F)c(Br)c2)nc1
InChIInChI=1S/C11H9BrFN3/c12-9-3-8(1-2-10(9)13)11-15-5-7(4-14)6-16-11/h1-3,5-6H,4,14H2
InChIKeyAPBQXGMLQGWHSH-UHFFFAOYSA-N
XLogP2.50
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.12
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-4-fluorophenyl)-5-(chloromethyl)pyrimidine
CID 82802858
1-[2-(3-bromo-4-fluorophenyl)pyrimidin-5-yl]propan-2-amine
CID 82803660
[2-(3-bromo-4-methylphenyl)pyrimidin-5-yl]methanamine
CID 107915560
1-[2-(3-bromo-4-fluorophenyl)pyrimidin-5-yl]-N-methylmethanamine
CID 82802968
2-(3-bromo-4-fluorophenyl)-1,3,5-triazine
CID 82481921
5-bromo-2-(3-bromo-4-fluorophenyl)-4-chloropyrimidine
CID 82809152
2-[2-(3-chloro-4-fluorophenyl)pyrimidin-5-yl]ethanamine
CID 63087706
[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-4-yl]methanamine
CID 107952860
[4-[2-(3-bromo-4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]methanamine
CID 82788931
[6-(3-bromo-4-fluorophenoxy)-5-methyl-3-pyridinyl]methanamine
CID 83235140
[2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 82800650
[2-(4-tert-butylphenyl)pyrimidin-5-yl]methanamine
CID 82293093

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromo-4-fluorophenyl)pyrimidin-5-yl]methanamine?
The IUPAC name of [2-(3-bromo-4-fluorophenyl)pyrimidin-5-yl]methanamine (CID 82802967) is [2-(3-bromo-4-fluorophenyl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for [2-(3-bromo-4-fluorophenyl)pyrimidin-5-yl]methanamine?
The canonical SMILES for [2-(3-bromo-4-fluorophenyl)pyrimidin-5-yl]methanamine is NCc1cnc(-c2ccc(F)c(Br)c2)nc1.
What is the InChIKey of [2-(3-bromo-4-fluorophenyl)pyrimidin-5-yl]methanamine?
The InChIKey is APBQXGMLQGWHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3/c12-9-3-8(1-2-10(9)13)11-15-5-7(4-14)6-16-11/h1-3,5-6H,4,14H2.
What are the key properties of [2-(3-bromo-4-fluorophenyl)pyrimidin-5-yl]methanamine?
[2-(3-bromo-4-fluorophenyl)pyrimidin-5-yl]methanamine has a molecular weight of 282.12 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromo-4-fluorophenyl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 82802967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).