N-(3-bromo-4-fluorophenyl)-6-chloro-2-propan-2-ylpyrimidin-4-amine

C13H12BrClFN3 — CID 104780296

IUPACN-(3-bromo-4-fluorophenyl)-6-chloro-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(Cl)cc(Nc2ccc(F)c(Br)c2)n1
InChIInChI=1S/C13H12BrClFN3/c1-7(2)13-18-11(15)6-12(19-13)17-8-3-4-10(16)9(14)5-8/h3-7H,1-2H3,(H,17,18,19)
InChIKeyYQGOECYAPPMXJF-UHFFFAOYSA-N
MW344.62 g/mol
LogP4.90
Rot. Bonds3

About N-(3-bromo-4-fluorophenyl)-6-chloro-2-propan-2-ylpyrimidin-4-amine

N-(3-bromo-4-fluorophenyl)-6-chloro-2-propan-2-ylpyrimidin-4-amine (PubChem CID 104780296) has the molecular formula C13H12BrClFN3 and a molecular weight of 344.62 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-6-chloro-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-6-chloro-2-propan-2-ylpyrimidin-4-amine
PubChem CID104780296
Molecular FormulaC13H12BrClFN3
Molecular Weight344.62 g/mol
Exact Mass342.99
IUPAC NameN-(3-bromo-4-fluorophenyl)-6-chloro-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(Cl)cc(Nc2ccc(F)c(Br)c2)n1
InChIInChI=1S/C13H12BrClFN3/c1-7(2)13-18-11(15)6-12(19-13)17-8-3-4-10(16)9(14)5-8/h3-7H,1-2H3,(H,17,18,19)
InChIKeyYQGOECYAPPMXJF-UHFFFAOYSA-N
XLogP4.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.62
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyrimidin-4-amine
CID 80951424
N-(4-bromo-3-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine
CID 65436407
6-chloro-N-(2,4-dichlorophenyl)-2-propan-2-ylpyrimidin-4-amine
CID 80947983
N-(4-bromo-3-fluorophenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine
CID 80546836
N-(3-bromo-4-fluorophenyl)-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 104782098
6-chloro-2-propan-2-yl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 80949167
6-(3-bromo-4-fluoroanilino)-3-chloropyridine-2-carboxylic acid
CID 104779776
6-bromo-N-(4-bromo-2,5-difluorophenyl)-2-propan-2-ylpyrimidin-4-amine
CID 107614831
6-chloro-N-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine
CID 80953300
2-(3-bromo-4-fluoroanilino)-6-methylpyridine-4-carbonitrile
CID 114766617
4-N-(5-bromo-2,4-difluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 102855477
6-chloro-N-(2,4-dimethylphenyl)-2-propan-2-ylpyrimidin-4-amine
CID 80948781

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-6-chloro-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-6-chloro-2-propan-2-ylpyrimidin-4-amine (CID 104780296) is N-(3-bromo-4-fluorophenyl)-6-chloro-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-6-chloro-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-6-chloro-2-propan-2-ylpyrimidin-4-amine is CC(C)c1nc(Cl)cc(Nc2ccc(F)c(Br)c2)n1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-6-chloro-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is YQGOECYAPPMXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClFN3/c1-7(2)13-18-11(15)6-12(19-13)17-8-3-4-10(16)9(14)5-8/h3-7H,1-2H3,(H,17,18,19).
What are the key properties of N-(3-bromo-4-fluorophenyl)-6-chloro-2-propan-2-ylpyrimidin-4-amine?
N-(3-bromo-4-fluorophenyl)-6-chloro-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 344.62 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-fluorophenyl)-6-chloro-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 104780296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).