5-bromo-2-chloro-N-(2-chloro-6-methylphenyl)pyrimidin-4-amine

C11H8BrCl2N3 — CID 79073311

IUPAC5-bromo-2-chloro-N-(2-chloro-6-methylphenyl)pyrimidin-4-amine
SMILESCc1cccc(Cl)c1Nc1nc(Cl)ncc1Br
InChIInChI=1S/C11H8BrCl2N3/c1-6-3-2-4-8(13)9(6)16-10-7(12)5-15-11(14)17-10/h2-5H,1H3,(H,15,16,17)
InChIKeyMOYBVBCCMAYFDX-UHFFFAOYSA-N
MW333.02 g/mol
LogP4.60
Rot. Bonds2

About 5-bromo-2-chloro-N-(2-chloro-6-methylphenyl)pyrimidin-4-amine

5-bromo-2-chloro-N-(2-chloro-6-methylphenyl)pyrimidin-4-amine (PubChem CID 79073311) has the molecular formula C11H8BrCl2N3 and a molecular weight of 333.02 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(2-chloro-6-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(2-chloro-6-methylphenyl)pyrimidin-4-amine
PubChem CID79073311
Molecular FormulaC11H8BrCl2N3
Molecular Weight333.02 g/mol
Exact Mass330.93
IUPAC Name5-bromo-2-chloro-N-(2-chloro-6-methylphenyl)pyrimidin-4-amine
SMILESCc1cccc(Cl)c1Nc1nc(Cl)ncc1Br
InChIInChI=1S/C11H8BrCl2N3/c1-6-3-2-4-8(13)9(6)16-10-7(12)5-15-11(14)17-10/h2-5H,1H3,(H,15,16,17)
InChIKeyMOYBVBCCMAYFDX-UHFFFAOYSA-N
XLogP4.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.02
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2-chloro-6-methylphenyl)-5-methylpyrimidin-4-amine
CID 79073312
5-bromo-2-chloro-N-(2,3-dimethylphenyl)pyrimidin-4-amine
CID 79075215
5-bromo-2-chloro-N-(2-methylphenyl)pyrimidin-4-amine
CID 24903530
5-bromo-2-chloro-N-(2,6-difluoro-3-methylphenyl)pyrimidin-4-amine
CID 82820362
5-bromo-2-chloro-N-(2-chlorophenyl)pyrimidin-4-amine
CID 79075649
5-bromo-N-(3-bromo-2-methylphenyl)-2-chloropyrimidin-4-amine
CID 107637005
5-bromo-N-(2-chloro-6-methylphenyl)pyridin-2-amine
CID 66255644
3,5-dichloro-N-(2-chloro-6-methylphenyl)-6-hydrazinylpyridin-2-amine
CID 102762246
5-bromo-N-(2-bromo-5-methylphenyl)-2-chloropyrimidin-4-amine
CID 82766176
5-bromo-2-chloro-N-(3,4-dichlorophenyl)pyrimidin-4-amine
CID 79076161
N-(4-bromo-2,6-dimethylphenyl)-2,5-dichloropyrimidin-4-amine
CID 79632109
6-chloro-N-(2-chloro-6-methylphenyl)-2,5-dimethylpyrimidin-4-amine
CID 66256721

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(2-chloro-6-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-chloro-N-(2-chloro-6-methylphenyl)pyrimidin-4-amine (CID 79073311) is 5-bromo-2-chloro-N-(2-chloro-6-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-chloro-N-(2-chloro-6-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-chloro-N-(2-chloro-6-methylphenyl)pyrimidin-4-amine is Cc1cccc(Cl)c1Nc1nc(Cl)ncc1Br.
What is the InChIKey of 5-bromo-2-chloro-N-(2-chloro-6-methylphenyl)pyrimidin-4-amine?
The InChIKey is MOYBVBCCMAYFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrCl2N3/c1-6-3-2-4-8(13)9(6)16-10-7(12)5-15-11(14)17-10/h2-5H,1H3,(H,15,16,17).
What are the key properties of 5-bromo-2-chloro-N-(2-chloro-6-methylphenyl)pyrimidin-4-amine?
5-bromo-2-chloro-N-(2-chloro-6-methylphenyl)pyrimidin-4-amine has a molecular weight of 333.02 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(2-chloro-6-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 79073311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).