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

C13H10Br2FN3 — CID 107281472

IUPAC5-bromo-2-(2-bromo-4-fluorophenyl)-6-cyclopropylpyrimidin-4-amine
SMILESNc1nc(-c2ccc(F)cc2Br)nc(C2CC2)c1Br
InChIInChI=1S/C13H10Br2FN3/c14-9-5-7(16)3-4-8(9)13-18-11(6-1-2-6)10(15)12(17)19-13/h3-6H,1-2H2,(H2,17,18,19)
InChIKeyZXLRMOLCVHHJPV-UHFFFAOYSA-N
MW387.05 g/mol
LogP4.27
Rot. Bonds2

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

5-bromo-2-(2-bromo-4-fluorophenyl)-6-cyclopropylpyrimidin-4-amine (PubChem CID 107281472) has the molecular formula C13H10Br2FN3 and a molecular weight of 387.05 g/mol. Its IUPAC name is 5-bromo-2-(2-bromo-4-fluorophenyl)-6-cyclopropylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(2-bromo-4-fluorophenyl)-6-cyclopropylpyrimidin-4-amine
PubChem CID107281472
Molecular FormulaC13H10Br2FN3
Molecular Weight387.05 g/mol
Exact Mass384.92
IUPAC Name5-bromo-2-(2-bromo-4-fluorophenyl)-6-cyclopropylpyrimidin-4-amine
SMILESNc1nc(-c2ccc(F)cc2Br)nc(C2CC2)c1Br
InChIInChI=1S/C13H10Br2FN3/c14-9-5-7(16)3-4-8(9)13-18-11(6-1-2-6)10(15)12(17)19-13/h3-6H,1-2H2,(H2,17,18,19)
InChIKeyZXLRMOLCVHHJPV-UHFFFAOYSA-N
XLogP4.27
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.05
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(2-bromo-4-fluorophenyl)-6-cyclopentylpyrimidin-4-amine
CID 107281489
6-cyclopropyl-2-(4-fluoro-2-methylphenyl)-5-iodopyrimidin-4-amine
CID 81277655
2-(2-bromo-4-fluorophenyl)-4-chloro-6-cyclopentylpyrimidine
CID 107281079
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
5-bromo-6-cyclopropyl-2-[(4-fluorophenyl)methyl]pyrimidin-4-amine
CID 66301705
5-bromo-6-cyclopropyl-2-(furan-3-yl)pyrimidin-4-amine
CID 66304167
2-(2-bromo-5-fluorophenyl)-4-cyclopropylpyrimidine-5-carboxylic acid
CID 107923916
5-bromo-6-cyclopropyl-2-quinolin-2-ylpyrimidin-4-amine
CID 66303348
5-bromo-6-cyclopropyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine
CID 115528547
5-bromo-6-cyclopropyl-2-(2-methylpyrazol-3-yl)pyrimidin-4-amine
CID 114554378
5-bromo-2-(4-chlorothiophen-2-yl)-6-cyclopropylpyrimidin-4-amine
CID 79426457

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-bromo-4-fluorophenyl)-6-cyclopropylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(2-bromo-4-fluorophenyl)-6-cyclopropylpyrimidin-4-amine (CID 107281472) is 5-bromo-2-(2-bromo-4-fluorophenyl)-6-cyclopropylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(2-bromo-4-fluorophenyl)-6-cyclopropylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(2-bromo-4-fluorophenyl)-6-cyclopropylpyrimidin-4-amine is Nc1nc(-c2ccc(F)cc2Br)nc(C2CC2)c1Br.
What is the InChIKey of 5-bromo-2-(2-bromo-4-fluorophenyl)-6-cyclopropylpyrimidin-4-amine?
The InChIKey is ZXLRMOLCVHHJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2FN3/c14-9-5-7(16)3-4-8(9)13-18-11(6-1-2-6)10(15)12(17)19-13/h3-6H,1-2H2,(H2,17,18,19).
What are the key properties of 5-bromo-2-(2-bromo-4-fluorophenyl)-6-cyclopropylpyrimidin-4-amine?
5-bromo-2-(2-bromo-4-fluorophenyl)-6-cyclopropylpyrimidin-4-amine has a molecular weight of 387.05 g/mol, XLogP of 4.27, 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-cyclopropylpyrimidin-4-amine is sourced from PubChem (CID 107281472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).