5-bromo-2-(2-bromo-4-fluorophenyl)-6-cyclopentylpyrimidin-4-amine

C15H14Br2FN3 — CID 107281489

IUPAC5-bromo-2-(2-bromo-4-fluorophenyl)-6-cyclopentylpyrimidin-4-amine
SMILESNc1nc(-c2ccc(F)cc2Br)nc(C2CCCC2)c1Br
InChIInChI=1S/C15H14Br2FN3/c16-11-7-9(18)5-6-10(11)15-20-13(8-3-1-2-4-8)12(17)14(19)21-15/h5-8H,1-4H2,(H2,19,20,21)
InChIKeyMAPODXHKVBWACQ-UHFFFAOYSA-N
MW415.10 g/mol
LogP5.05
Rot. Bonds2

About 5-bromo-2-(2-bromo-4-fluorophenyl)-6-cyclopentylpyrimidin-4-amine

5-bromo-2-(2-bromo-4-fluorophenyl)-6-cyclopentylpyrimidin-4-amine (PubChem CID 107281489) has the molecular formula C15H14Br2FN3 and a molecular weight of 415.10 g/mol. Its IUPAC name is 5-bromo-2-(2-bromo-4-fluorophenyl)-6-cyclopentylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(2-bromo-4-fluorophenyl)-6-cyclopentylpyrimidin-4-amine
PubChem CID107281489
Molecular FormulaC15H14Br2FN3
Molecular Weight415.10 g/mol
Exact Mass412.95
IUPAC Name5-bromo-2-(2-bromo-4-fluorophenyl)-6-cyclopentylpyrimidin-4-amine
SMILESNc1nc(-c2ccc(F)cc2Br)nc(C2CCCC2)c1Br
InChIInChI=1S/C15H14Br2FN3/c16-11-7-9(18)5-6-10(11)15-20-13(8-3-1-2-4-8)12(17)14(19)21-15/h5-8H,1-4H2,(H2,19,20,21)
InChIKeyMAPODXHKVBWACQ-UHFFFAOYSA-N
XLogP5.05
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.10
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(2-bromo-4-fluorophenyl)-6-cyclopropylpyrimidin-4-amine
CID 107281472
2-(2-bromo-4-fluorophenyl)-4-chloro-6-cyclopentylpyrimidine
CID 107281079
6-cyclopropyl-2-(4-fluoro-2-methylphenyl)-5-iodopyrimidin-4-amine
CID 81277655
3-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 107280013
5-bromo-6-cyclopentyl-2-(2-methylpyrazol-3-yl)pyrimidin-4-amine
CID 114554404
2-(2-bromo-3,4-difluorophenyl)-6-cyclopentylpyrimidin-4-amine
CID 107539789
5-bromo-2-(2-chloro-4-fluorophenyl)-4-cyclopentyl-1H-pyrimidin-6-one
CID 136729610
5-bromo-6-cyclopropyl-2-(4-methylphenyl)pyrimidin-4-amine
CID 66303343
5-bromo-6-cyclopropyl-2-(4,5-dibromofuran-2-yl)pyrimidin-4-amine
CID 66297069
2-[[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 107282899
2-(2-bromo-5-fluorophenyl)-6-cyclopentyl-N-methylpyrimidin-4-amine
CID 107924049
4-cyclopentyl-7-fluoroquinazolin-2-amine
CID 105489449

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-bromo-4-fluorophenyl)-6-cyclopentylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(2-bromo-4-fluorophenyl)-6-cyclopentylpyrimidin-4-amine (CID 107281489) is 5-bromo-2-(2-bromo-4-fluorophenyl)-6-cyclopentylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(2-bromo-4-fluorophenyl)-6-cyclopentylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(2-bromo-4-fluorophenyl)-6-cyclopentylpyrimidin-4-amine is Nc1nc(-c2ccc(F)cc2Br)nc(C2CCCC2)c1Br.
What is the InChIKey of 5-bromo-2-(2-bromo-4-fluorophenyl)-6-cyclopentylpyrimidin-4-amine?
The InChIKey is MAPODXHKVBWACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2FN3/c16-11-7-9(18)5-6-10(11)15-20-13(8-3-1-2-4-8)12(17)14(19)21-15/h5-8H,1-4H2,(H2,19,20,21).
What are the key properties of 5-bromo-2-(2-bromo-4-fluorophenyl)-6-cyclopentylpyrimidin-4-amine?
5-bromo-2-(2-bromo-4-fluorophenyl)-6-cyclopentylpyrimidin-4-amine has a molecular weight of 415.10 g/mol, XLogP of 5.05, 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-bromo-4-fluorophenyl)-6-cyclopentylpyrimidin-4-amine is sourced from PubChem (CID 107281489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).