5-bromo-4-chloro-N-(2-fluoro-5-methylphenyl)pyrimidin-2-amine

C11H8BrClFN3 — CID 59354536

IUPAC5-bromo-4-chloro-N-(2-fluoro-5-methylphenyl)pyrimidin-2-amine
SMILESCc1ccc(F)c(Nc2ncc(Br)c(Cl)n2)c1
InChIInChI=1S/C11H8BrClFN3/c1-6-2-3-8(14)9(4-6)16-11-15-5-7(12)10(13)17-11/h2-5H,1H3,(H,15,16,17)
InChIKeyZKPQYESSIZOGAX-UHFFFAOYSA-N
MW316.56 g/mol
LogP4.08
Rot. Bonds2

About 5-bromo-4-chloro-N-(2-fluoro-5-methylphenyl)pyrimidin-2-amine

5-bromo-4-chloro-N-(2-fluoro-5-methylphenyl)pyrimidin-2-amine (PubChem CID 59354536) has the molecular formula C11H8BrClFN3 and a molecular weight of 316.56 g/mol. Its IUPAC name is 5-bromo-4-chloro-N-(2-fluoro-5-methylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-chloro-N-(2-fluoro-5-methylphenyl)pyrimidin-2-amine
PubChem CID59354536
Molecular FormulaC11H8BrClFN3
Molecular Weight316.56 g/mol
Exact Mass314.96
IUPAC Name5-bromo-4-chloro-N-(2-fluoro-5-methylphenyl)pyrimidin-2-amine
SMILESCc1ccc(F)c(Nc2ncc(Br)c(Cl)n2)c1
InChIInChI=1S/C11H8BrClFN3/c1-6-2-3-8(14)9(4-6)16-11-15-5-7(12)10(13)17-11/h2-5H,1H3,(H,15,16,17)
InChIKeyZKPQYESSIZOGAX-UHFFFAOYSA-N
XLogP4.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.56
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4-N-(2-fluoro-5-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80755789
5-bromo-4-chloro-N-(4-chloro-3-methylphenyl)pyrimidin-2-amine
CID 168509796
5-bromo-N-(2-chloro-4-methylphenyl)-4-methoxypyrimidin-2-amine
CID 106998597
N-(2-bromo-5-methylphenyl)-5-chloro-3-fluoropyridin-2-amine
CID 82766697
5-bromo-4-chloro-N-(3,4-dichlorophenyl)pyrimidin-2-amine
CID 168509794
2-N,4-N-bis(2,5-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 802949
5-bromo-N-(2-chloro-5-methylphenyl)-4-methylpyridin-2-amine
CID 107638028
2,6-dichloro-N-(2-fluoro-5-methylphenyl)aniline
CID 56618086
6-chloro-N-(2-fluoro-5-methylphenyl)-2-methylpyrimidin-4-amine
CID 62481306
5-bromo-N-(2-chloro-4-methylphenyl)pyrimidin-2-amine
CID 55252301
5-bromo-N-(2-bromo-5-methylphenyl)-2-chloropyrimidin-4-amine
CID 82766176
2-chloro-N-(2-fluoro-5-methylphenyl)pyridin-4-amine
CID 102823905

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-N-(2-fluoro-5-methylphenyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-chloro-N-(2-fluoro-5-methylphenyl)pyrimidin-2-amine (CID 59354536) is 5-bromo-4-chloro-N-(2-fluoro-5-methylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-chloro-N-(2-fluoro-5-methylphenyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-chloro-N-(2-fluoro-5-methylphenyl)pyrimidin-2-amine is Cc1ccc(F)c(Nc2ncc(Br)c(Cl)n2)c1.
What is the InChIKey of 5-bromo-4-chloro-N-(2-fluoro-5-methylphenyl)pyrimidin-2-amine?
The InChIKey is ZKPQYESSIZOGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClFN3/c1-6-2-3-8(14)9(4-6)16-11-15-5-7(12)10(13)17-11/h2-5H,1H3,(H,15,16,17).
What are the key properties of 5-bromo-4-chloro-N-(2-fluoro-5-methylphenyl)pyrimidin-2-amine?
5-bromo-4-chloro-N-(2-fluoro-5-methylphenyl)pyrimidin-2-amine has a molecular weight of 316.56 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-N-(2-fluoro-5-methylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 59354536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).