5-bromo-N-(4-bromo-2-ethylphenyl)pyrimidin-2-amine

C12H11Br2N3 — CID 81288979

IUPAC5-bromo-N-(4-bromo-2-ethylphenyl)pyrimidin-2-amine
SMILESCCc1cc(Br)ccc1Nc1ncc(Br)cn1
InChIInChI=1S/C12H11Br2N3/c1-2-8-5-9(13)3-4-11(8)17-12-15-6-10(14)7-16-12/h3-7H,2H2,1H3,(H,15,16,17)
InChIKeyVAYLILZVQMDHJX-UHFFFAOYSA-N
MW357.05 g/mol
LogP4.31
Rot. Bonds3

About 5-bromo-N-(4-bromo-2-ethylphenyl)pyrimidin-2-amine

5-bromo-N-(4-bromo-2-ethylphenyl)pyrimidin-2-amine (PubChem CID 81288979) has the molecular formula C12H11Br2N3 and a molecular weight of 357.05 g/mol. Its IUPAC name is 5-bromo-N-(4-bromo-2-ethylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(4-bromo-2-ethylphenyl)pyrimidin-2-amine
PubChem CID81288979
Molecular FormulaC12H11Br2N3
Molecular Weight357.05 g/mol
Exact Mass354.93
IUPAC Name5-bromo-N-(4-bromo-2-ethylphenyl)pyrimidin-2-amine
SMILESCCc1cc(Br)ccc1Nc1ncc(Br)cn1
InChIInChI=1S/C12H11Br2N3/c1-2-8-5-9(13)3-4-11(8)17-12-15-6-10(14)7-16-12/h3-7H,2H2,1H3,(H,15,16,17)
InChIKeyVAYLILZVQMDHJX-UHFFFAOYSA-N
XLogP4.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.05
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-(4-bromo-2-ethylphenyl)-3-N-methylpyridine-3,5-diamine
CID 104535480
N-(4-bromo-2-ethylphenyl)-5-chloro-3-fluoropyridin-2-amine
CID 81288206
N-(4-bromo-2-ethylphenyl)-2-chloropyridin-4-amine
CID 102824327
5-bromo-N-(5-bromo-2-chlorophenyl)pyrimidin-2-amine
CID 63867695
2-N-(4-bromo-2-ethylphenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 81286955
2-N-(4-bromo-2-ethylphenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 81287998
4-N-(4-bromo-2-ethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 81288855
N-(4-bromo-2-ethylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine
CID 81289293
4-(4-bromo-2-ethylanilino)pyrimidine-5-carboxylic acid
CID 114214554
5-bromo-N-(2-chloro-4-methylphenyl)pyrimidin-2-amine
CID 55252301
N-(4-bromo-2-ethylphenyl)-6-fluoropyridin-2-amine
CID 81287353
4-N-(4-bromo-2-ethylphenyl)-2-ethylpyrimidine-4,6-diamine
CID 81289211

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-bromo-2-ethylphenyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-(4-bromo-2-ethylphenyl)pyrimidin-2-amine (CID 81288979) is 5-bromo-N-(4-bromo-2-ethylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-(4-bromo-2-ethylphenyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-(4-bromo-2-ethylphenyl)pyrimidin-2-amine is CCc1cc(Br)ccc1Nc1ncc(Br)cn1.
What is the InChIKey of 5-bromo-N-(4-bromo-2-ethylphenyl)pyrimidin-2-amine?
The InChIKey is VAYLILZVQMDHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2N3/c1-2-8-5-9(13)3-4-11(8)17-12-15-6-10(14)7-16-12/h3-7H,2H2,1H3,(H,15,16,17).
What are the key properties of 5-bromo-N-(4-bromo-2-ethylphenyl)pyrimidin-2-amine?
5-bromo-N-(4-bromo-2-ethylphenyl)pyrimidin-2-amine has a molecular weight of 357.05 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-bromo-2-ethylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 81288979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).