5-bromo-N-(3-bromo-2-methylphenyl)-2-chloropyrimidin-4-amine

C11H8Br2ClN3 — CID 107637005

IUPAC5-bromo-N-(3-bromo-2-methylphenyl)-2-chloropyrimidin-4-amine
SMILESCc1c(Br)cccc1Nc1nc(Cl)ncc1Br
InChIInChI=1S/C11H8Br2ClN3/c1-6-7(12)3-2-4-9(6)16-10-8(13)5-15-11(14)17-10/h2-5H,1H3,(H,15,16,17)
InChIKeyCOTOOYNGHFYBLR-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.71
Rot. Bonds2

About 5-bromo-N-(3-bromo-2-methylphenyl)-2-chloropyrimidin-4-amine

5-bromo-N-(3-bromo-2-methylphenyl)-2-chloropyrimidin-4-amine (PubChem CID 107637005) has the molecular formula C11H8Br2ClN3 and a molecular weight of 377.47 g/mol. Its IUPAC name is 5-bromo-N-(3-bromo-2-methylphenyl)-2-chloropyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-(3-bromo-2-methylphenyl)-2-chloropyrimidin-4-amine
PubChem CID107637005
Molecular FormulaC11H8Br2ClN3
Molecular Weight377.47 g/mol
Exact Mass374.88
IUPAC Name5-bromo-N-(3-bromo-2-methylphenyl)-2-chloropyrimidin-4-amine
SMILESCc1c(Br)cccc1Nc1nc(Cl)ncc1Br
InChIInChI=1S/C11H8Br2ClN3/c1-6-7(12)3-2-4-9(6)16-10-8(13)5-15-11(14)17-10/h2-5H,1H3,(H,15,16,17)
InChIKeyCOTOOYNGHFYBLR-UHFFFAOYSA-N
XLogP4.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-chloro-N-(2,3-dimethylphenyl)pyrimidin-4-amine
CID 79075215
N-(3-bromo-2-methylphenyl)-2-chloro-5-fluoropyrimidin-4-amine
CID 107636939
5-bromo-2-chloro-N-(2-methylphenyl)pyrimidin-4-amine
CID 24903530
5-bromo-4-N-(3-bromo-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 107638633
5-bromo-2-chloro-N-(2-chlorophenyl)pyrimidin-4-amine
CID 79075649
5-bromo-N-(2-bromo-5-methylphenyl)-2-chloropyrimidin-4-amine
CID 82766176
3-bromo-N-(3-bromo-2-methylphenyl)-5-chloropyridin-2-amine
CID 107638006
5-bromo-4-N-(3-chloro-2-methylphenyl)pyrimidine-2,4-diamine
CID 80763006
5-bromo-2-chloro-N-(2-chloro-6-methylphenyl)pyrimidin-4-amine
CID 79073311
5-bromo-N-(3-chloro-2-methylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80927863
2-chloro-N-(3-chloro-2-methylphenyl)-5-methylpyrimidin-4-amine
CID 79075964
3-N-(3-bromo-2-methylphenyl)pyrazine-2,3-diamine
CID 107638555

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-bromo-2-methylphenyl)-2-chloropyrimidin-4-amine?
The IUPAC name of 5-bromo-N-(3-bromo-2-methylphenyl)-2-chloropyrimidin-4-amine (CID 107637005) is 5-bromo-N-(3-bromo-2-methylphenyl)-2-chloropyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-(3-bromo-2-methylphenyl)-2-chloropyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-(3-bromo-2-methylphenyl)-2-chloropyrimidin-4-amine is Cc1c(Br)cccc1Nc1nc(Cl)ncc1Br.
What is the InChIKey of 5-bromo-N-(3-bromo-2-methylphenyl)-2-chloropyrimidin-4-amine?
The InChIKey is COTOOYNGHFYBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2ClN3/c1-6-7(12)3-2-4-9(6)16-10-8(13)5-15-11(14)17-10/h2-5H,1H3,(H,15,16,17).
What are the key properties of 5-bromo-N-(3-bromo-2-methylphenyl)-2-chloropyrimidin-4-amine?
5-bromo-N-(3-bromo-2-methylphenyl)-2-chloropyrimidin-4-amine has a molecular weight of 377.47 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-bromo-2-methylphenyl)-2-chloropyrimidin-4-amine is sourced from PubChem (CID 107637005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).