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

C11H9BrFN3 — CID 115416284

IUPACN-(4-bromo-2-methylphenyl)-6-fluoropyrimidin-4-amine
SMILESCc1cc(Br)ccc1Nc1cc(F)ncn1
InChIInChI=1S/C11H9BrFN3/c1-7-4-8(12)2-3-9(7)16-11-5-10(13)14-6-15-11/h2-6H,1H3,(H,14,15,16)
InChIKeyZXIXYMJHBSJYGI-UHFFFAOYSA-N
MW282.12 g/mol
LogP3.43
Rot. Bonds2

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

N-(4-bromo-2-methylphenyl)-6-fluoropyrimidin-4-amine (PubChem CID 115416284) has the molecular formula C11H9BrFN3 and a molecular weight of 282.12 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-6-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-6-fluoropyrimidin-4-amine
PubChem CID115416284
Molecular FormulaC11H9BrFN3
Molecular Weight282.12 g/mol
Exact Mass281.00
IUPAC NameN-(4-bromo-2-methylphenyl)-6-fluoropyrimidin-4-amine
SMILESCc1cc(Br)ccc1Nc1cc(F)ncn1
InChIInChI=1S/C11H9BrFN3/c1-7-4-8(12)2-3-9(7)16-11-5-10(13)14-6-15-11/h2-6H,1H3,(H,14,15,16)
InChIKeyZXIXYMJHBSJYGI-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

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Related Compounds

N-(2,4-dibromophenyl)-6-fluoropyrimidin-4-amine
CID 115416669
6-fluoro-N-(4-methoxy-2-methylphenyl)pyrimidin-4-amine
CID 115416925
6-N-(4-bromo-2-methylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112867019
N-(2-bromo-3-methylphenyl)-6-fluoropyrimidin-4-amine
CID 115417237
5-bromo-N-(4-bromo-2-methylphenyl)-4-methylpyridin-2-amine
CID 114870136
N-(2,5-dimethylphenyl)-6-fluoropyrimidin-4-amine
CID 115416333
N-(2-bromo-5-chloro-4-methylphenyl)-6-fluoropyrimidin-4-amine
CID 104724896
2-[[6-(4-bromo-2-methylanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113195124
N-(2,5-difluoro-4-methylphenyl)-6-fluoropyrimidin-4-amine
CID 103586880
6-(4-bromo-2-methylanilino)-N-tert-butylpyrimidine-4-carboxamide
CID 109353932
6-(4-bromo-2-methylanilino)-N,N-diethylpyrimidine-4-carboxamide
CID 109353479
3-[[6-(4-bromo-2-methylanilino)pyrimidin-4-yl]amino]benzonitrile
CID 112867017

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-6-fluoropyrimidin-4-amine?
The IUPAC name of N-(4-bromo-2-methylphenyl)-6-fluoropyrimidin-4-amine (CID 115416284) is N-(4-bromo-2-methylphenyl)-6-fluoropyrimidin-4-amine.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-6-fluoropyrimidin-4-amine?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-6-fluoropyrimidin-4-amine is Cc1cc(Br)ccc1Nc1cc(F)ncn1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-6-fluoropyrimidin-4-amine?
The InChIKey is ZXIXYMJHBSJYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3/c1-7-4-8(12)2-3-9(7)16-11-5-10(13)14-6-15-11/h2-6H,1H3,(H,14,15,16).
What are the key properties of N-(4-bromo-2-methylphenyl)-6-fluoropyrimidin-4-amine?
N-(4-bromo-2-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-(4-bromo-2-methylphenyl)-6-fluoropyrimidin-4-amine is sourced from PubChem (CID 115416284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).