2-(2-bromo-3,4-difluorophenyl)-6-cyclopentylpyrimidin-4-amine

C15H14BrF2N3 — CID 107539789

IUPAC2-(2-bromo-3,4-difluorophenyl)-6-cyclopentylpyrimidin-4-amine
SMILESNc1cc(C2CCCC2)nc(-c2ccc(F)c(F)c2Br)n1
InChIInChI=1S/C15H14BrF2N3/c16-13-9(5-6-10(17)14(13)18)15-20-11(7-12(19)21-15)8-3-1-2-4-8/h5-8H,1-4H2,(H2,19,20,21)
InChIKeyGKRXGNCPCGHODF-UHFFFAOYSA-N
MW354.20 g/mol
LogP4.42
Rot. Bonds2

About 2-(2-bromo-3,4-difluorophenyl)-6-cyclopentylpyrimidin-4-amine

2-(2-bromo-3,4-difluorophenyl)-6-cyclopentylpyrimidin-4-amine (PubChem CID 107539789) has the molecular formula C15H14BrF2N3 and a molecular weight of 354.20 g/mol. Its IUPAC name is 2-(2-bromo-3,4-difluorophenyl)-6-cyclopentylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-bromo-3,4-difluorophenyl)-6-cyclopentylpyrimidin-4-amine
PubChem CID107539789
Molecular FormulaC15H14BrF2N3
Molecular Weight354.20 g/mol
Exact Mass353.03
IUPAC Name2-(2-bromo-3,4-difluorophenyl)-6-cyclopentylpyrimidin-4-amine
SMILESNc1cc(C2CCCC2)nc(-c2ccc(F)c(F)c2Br)n1
InChIInChI=1S/C15H14BrF2N3/c16-13-9(5-6-10(17)14(13)18)15-20-11(7-12(19)21-15)8-3-1-2-4-8/h5-8H,1-4H2,(H2,19,20,21)
InChIKeyGKRXGNCPCGHODF-UHFFFAOYSA-N
XLogP4.42
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.20
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-2-methylphenyl)-6-cyclopentylpyrimidin-4-amine
CID 103083839
4,6-dibromo-2-(2-bromo-3,4-difluorophenyl)pyrimidine
CID 107537902
6-cyclobutylpyrimidine-2,4-diamine
CID 156773674
5-bromo-2-(2-bromo-4-fluorophenyl)-6-cyclopentylpyrimidin-4-amine
CID 107281489
2-(2-bromo-4-fluorophenyl)-4-chloro-6-cyclopentylpyrimidine
CID 107281079
2-(2-bromo-3,4-difluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 107539786
2-[3-(2-bromo-3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 107541022
5-bromo-2-(2-bromo-3,4-difluorophenyl)pyrimidin-4-amine
CID 107539770
6-cyclopentyl-2-(1,3-thiazol-2-yl)pyrimidin-4-amine
CID 113390538
6-cyclopropyl-2-(2-ethylphenyl)pyrimidin-4-amine
CID 63354241
[3-(2-bromo-3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-cyclopropylmethanamine
CID 107537138
6-cyclopropyl-2-quinolin-8-ylpyrimidin-4-amine
CID 63970784

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3,4-difluorophenyl)-6-cyclopentylpyrimidin-4-amine?
The IUPAC name of 2-(2-bromo-3,4-difluorophenyl)-6-cyclopentylpyrimidin-4-amine (CID 107539789) is 2-(2-bromo-3,4-difluorophenyl)-6-cyclopentylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-bromo-3,4-difluorophenyl)-6-cyclopentylpyrimidin-4-amine?
The canonical SMILES for 2-(2-bromo-3,4-difluorophenyl)-6-cyclopentylpyrimidin-4-amine is Nc1cc(C2CCCC2)nc(-c2ccc(F)c(F)c2Br)n1.
What is the InChIKey of 2-(2-bromo-3,4-difluorophenyl)-6-cyclopentylpyrimidin-4-amine?
The InChIKey is GKRXGNCPCGHODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2N3/c16-13-9(5-6-10(17)14(13)18)15-20-11(7-12(19)21-15)8-3-1-2-4-8/h5-8H,1-4H2,(H2,19,20,21).
What are the key properties of 2-(2-bromo-3,4-difluorophenyl)-6-cyclopentylpyrimidin-4-amine?
2-(2-bromo-3,4-difluorophenyl)-6-cyclopentylpyrimidin-4-amine has a molecular weight of 354.20 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3,4-difluorophenyl)-6-cyclopentylpyrimidin-4-amine is sourced from PubChem (CID 107539789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).