N-(5-bromo-2-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine

C12H10BrClFN3 — CID 80936781

IUPACN-(5-bromo-2-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine
SMILESCCc1nc(Cl)cc(Nc2cc(Br)ccc2F)n1
InChIInChI=1S/C12H10BrClFN3/c1-2-11-17-10(14)6-12(18-11)16-9-5-7(13)3-4-8(9)15/h3-6H,2H2,1H3,(H,16,17,18)
InChIKeyFNEXYNVDDBFIQC-UHFFFAOYSA-N
MW330.59 g/mol
LogP4.34
Rot. Bonds3

About N-(5-bromo-2-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine

N-(5-bromo-2-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine (PubChem CID 80936781) has the molecular formula C12H10BrClFN3 and a molecular weight of 330.59 g/mol. Its IUPAC name is N-(5-bromo-2-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-bromo-2-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine
PubChem CID80936781
Molecular FormulaC12H10BrClFN3
Molecular Weight330.59 g/mol
Exact Mass328.97
IUPAC NameN-(5-bromo-2-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine
SMILESCCc1nc(Cl)cc(Nc2cc(Br)ccc2F)n1
InChIInChI=1S/C12H10BrClFN3/c1-2-11-17-10(14)6-12(18-11)16-9-5-7(13)3-4-8(9)15/h3-6H,2H2,1H3,(H,16,17,18)
InChIKeyFNEXYNVDDBFIQC-UHFFFAOYSA-N
XLogP4.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.59
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-fluorophenyl)-6-chloro-2-(methoxymethyl)pyrimidin-4-amine
CID 113400836
N-(5-bromo-2-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine
CID 62482336
N-(2-bromo-4-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine
CID 80943383
6-chloro-N-(4-chloro-2-methylphenyl)-2-ethylpyrimidin-4-amine
CID 114256298
4-N-(5-chloro-2-fluorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933034
4-N-(5-chloro-2-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934267
4-N-(5-chloro-2-fluorophenyl)-2-ethylpyrimidine-4,6-diamine
CID 80934192
6-chloro-2-ethyl-N-(4-fluoro-3-methylphenyl)pyrimidin-4-amine
CID 80936099
4-chloro-2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]benzonitrile
CID 80935656
6-chloro-2-ethyl-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine
CID 80943528
6-chloro-N-(4-chloro-2-fluorophenyl)-2-propylpyrimidin-4-amine
CID 80939820
4-N-(5-bromo-2-fluorophenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80788165

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine?
The IUPAC name of N-(5-bromo-2-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine (CID 80936781) is N-(5-bromo-2-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine.
What is the SMILES notation for N-(5-bromo-2-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine?
The canonical SMILES for N-(5-bromo-2-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine is CCc1nc(Cl)cc(Nc2cc(Br)ccc2F)n1.
What is the InChIKey of N-(5-bromo-2-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine?
The InChIKey is FNEXYNVDDBFIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClFN3/c1-2-11-17-10(14)6-12(18-11)16-9-5-7(13)3-4-8(9)15/h3-6H,2H2,1H3,(H,16,17,18).
What are the key properties of N-(5-bromo-2-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine?
N-(5-bromo-2-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine has a molecular weight of 330.59 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine is sourced from PubChem (CID 80936781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).