N-(2-bromo-3-methylphenyl)-6-fluoropyrimidin-4-amine

C11H9BrFN3 — CID 115417237

IUPACN-(2-bromo-3-methylphenyl)-6-fluoropyrimidin-4-amine
SMILESCc1cccc(Nc2cc(F)ncn2)c1Br
InChIInChI=1S/C11H9BrFN3/c1-7-3-2-4-8(11(7)12)16-10-5-9(13)14-6-15-10/h2-6H,1H3,(H,14,15,16)
InChIKeyWPTFLGWHTUWOHI-UHFFFAOYSA-N
MW282.12 g/mol
LogP3.43
Rot. Bonds2

About N-(2-bromo-3-methylphenyl)-6-fluoropyrimidin-4-amine

N-(2-bromo-3-methylphenyl)-6-fluoropyrimidin-4-amine (PubChem CID 115417237) has the molecular formula C11H9BrFN3 and a molecular weight of 282.12 g/mol. Its IUPAC name is N-(2-bromo-3-methylphenyl)-6-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromo-3-methylphenyl)-6-fluoropyrimidin-4-amine
PubChem CID115417237
Molecular FormulaC11H9BrFN3
Molecular Weight282.12 g/mol
Exact Mass281.00
IUPAC NameN-(2-bromo-3-methylphenyl)-6-fluoropyrimidin-4-amine
SMILESCc1cccc(Nc2cc(F)ncn2)c1Br
InChIInChI=1S/C11H9BrFN3/c1-7-3-2-4-8(11(7)12)16-10-5-9(13)14-6-15-10/h2-6H,1H3,(H,14,15,16)
InChIKeyWPTFLGWHTUWOHI-UHFFFAOYSA-N
XLogP3.43
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.12
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-bromo-3-methylphenyl)-6-fluoropyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromo-2-methylphenyl)-6-fluoropyrimidin-4-amine
CID 115416284
N-(3-chloro-2-methylphenyl)-6-fluoropyrimidin-4-amine
CID 115416331
N-(2,5-dimethylphenyl)-6-fluoropyrimidin-4-amine
CID 115416333
N-(2,3-dichlorophenyl)-6-fluoropyrimidin-4-amine
CID 115416269
N-(2-bromo-5-chloro-4-methylphenyl)-6-fluoropyrimidin-4-amine
CID 104724896
4-N,6-N-bis(2-methylphenyl)pyrimidine-4,6-diamine
CID 112864815
N-(2,5-difluoro-4-methylphenyl)-6-fluoropyrimidin-4-amine
CID 103586880
6-fluoro-N-(2-methoxyphenyl)pyrimidin-4-amine
CID 115416307
N-(2,4-dibromophenyl)-6-fluoropyrimidin-4-amine
CID 115416669
6-fluoro-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine
CID 115416925
6-bromo-N-(3-bromo-2-methylphenyl)pyrimidin-4-amine
CID 107636993
N-[2-(difluoromethoxy)phenyl]-6-fluoropyrimidin-4-amine
CID 113305662

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-methylphenyl)-6-fluoropyrimidin-4-amine?
The IUPAC name of N-(2-bromo-3-methylphenyl)-6-fluoropyrimidin-4-amine (CID 115417237) is N-(2-bromo-3-methylphenyl)-6-fluoropyrimidin-4-amine.
What is the SMILES notation for N-(2-bromo-3-methylphenyl)-6-fluoropyrimidin-4-amine?
The canonical SMILES for N-(2-bromo-3-methylphenyl)-6-fluoropyrimidin-4-amine is Cc1cccc(Nc2cc(F)ncn2)c1Br.
What is the InChIKey of N-(2-bromo-3-methylphenyl)-6-fluoropyrimidin-4-amine?
The InChIKey is WPTFLGWHTUWOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3/c1-7-3-2-4-8(11(7)12)16-10-5-9(13)14-6-15-10/h2-6H,1H3,(H,14,15,16).
What are the key properties of N-(2-bromo-3-methylphenyl)-6-fluoropyrimidin-4-amine?
N-(2-bromo-3-methylphenyl)-6-fluoropyrimidin-4-amine has a molecular weight of 282.12 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-methylphenyl)-6-fluoropyrimidin-4-amine is sourced from PubChem (CID 115417237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).