5-bromo-2-[(2-fluorophenyl)methyl]pyrimidin-4-amine

C11H9BrFN3 — CID 66301820

IUPAC5-bromo-2-[(2-fluorophenyl)methyl]pyrimidin-4-amine
SMILESNc1nc(Cc2ccccc2F)ncc1Br
InChIInChI=1S/C11H9BrFN3/c12-8-6-15-10(16-11(8)14)5-7-3-1-2-4-9(7)13/h1-4,6H,5H2,(H2,14,15,16)
InChIKeyGNZSMPHJJOEGBV-UHFFFAOYSA-N
MW282.12 g/mol
LogP2.55
Rot. Bonds2

About 5-bromo-2-[(2-fluorophenyl)methyl]pyrimidin-4-amine

5-bromo-2-[(2-fluorophenyl)methyl]pyrimidin-4-amine (PubChem CID 66301820) has the molecular formula C11H9BrFN3 and a molecular weight of 282.12 g/mol. Its IUPAC name is 5-bromo-2-[(2-fluorophenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-[(2-fluorophenyl)methyl]pyrimidin-4-amine
PubChem CID66301820
Molecular FormulaC11H9BrFN3
Molecular Weight282.12 g/mol
Exact Mass281.00
IUPAC Name5-bromo-2-[(2-fluorophenyl)methyl]pyrimidin-4-amine
SMILESNc1nc(Cc2ccccc2F)ncc1Br
InChIInChI=1S/C11H9BrFN3/c12-8-6-15-10(16-11(8)14)5-7-3-1-2-4-9(7)13/h1-4,6H,5H2,(H2,14,15,16)
InChIKeyGNZSMPHJJOEGBV-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-amine
CID 66000568
[4-ethyl-2-[(2-fluorophenyl)methyl]pyrimidin-5-yl]methanamine
CID 114206046
5-bromo-4-[(2-fluorophenyl)methoxy]pyrimidin-2-amine
CID 80876188
2-[(2-fluorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 61025722
5-bromo-2-[(2-bromophenyl)methyl]-N-ethylpyrimidin-4-amine
CID 66302872
2-[(2-fluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175868327
(1S)-1-[2-[(2-fluorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanol
CID 103431425
5-bromo-2-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 66303664
5-bromo-4-chloro-2-[(3-chloro-2-fluorophenyl)methyl]pyrimidine
CID 82803143
2-bromo-4-[(2-fluorophenyl)methyl]pyrimidine
CID 117224480
5-bromo-2-[(2-fluorophenyl)sulfanylmethyl]-N-methylpyrimidin-4-amine
CID 66301835
2-bromo-6-[(2-fluorophenyl)methyl]pyridine
CID 86652414

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2-fluorophenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-[(2-fluorophenyl)methyl]pyrimidin-4-amine (CID 66301820) is 5-bromo-2-[(2-fluorophenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-[(2-fluorophenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-[(2-fluorophenyl)methyl]pyrimidin-4-amine is Nc1nc(Cc2ccccc2F)ncc1Br.
What is the InChIKey of 5-bromo-2-[(2-fluorophenyl)methyl]pyrimidin-4-amine?
The InChIKey is GNZSMPHJJOEGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3/c12-8-6-15-10(16-11(8)14)5-7-3-1-2-4-9(7)13/h1-4,6H,5H2,(H2,14,15,16).
What are the key properties of 5-bromo-2-[(2-fluorophenyl)methyl]pyrimidin-4-amine?
5-bromo-2-[(2-fluorophenyl)methyl]pyrimidin-4-amine has a molecular weight of 282.12 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2-fluorophenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 66301820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).