5-bromo-N-(3-bromo-4-methylphenyl)pyrimidin-4-amine

C11H9Br2N3 — CID 66318405

IUPAC5-bromo-N-(3-bromo-4-methylphenyl)pyrimidin-4-amine
SMILESCc1ccc(Nc2ncncc2Br)cc1Br
InChIInChI=1S/C11H9Br2N3/c1-7-2-3-8(4-9(7)12)16-11-10(13)5-14-6-15-11/h2-6H,1H3,(H,14,15,16)
InChIKeyUUSQNVBHMNKDRN-UHFFFAOYSA-N
MW343.02 g/mol
LogP4.05
Rot. Bonds2

About 5-bromo-N-(3-bromo-4-methylphenyl)pyrimidin-4-amine

5-bromo-N-(3-bromo-4-methylphenyl)pyrimidin-4-amine (PubChem CID 66318405) has the molecular formula C11H9Br2N3 and a molecular weight of 343.02 g/mol. Its IUPAC name is 5-bromo-N-(3-bromo-4-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-(3-bromo-4-methylphenyl)pyrimidin-4-amine
PubChem CID66318405
Molecular FormulaC11H9Br2N3
Molecular Weight343.02 g/mol
Exact Mass340.92
IUPAC Name5-bromo-N-(3-bromo-4-methylphenyl)pyrimidin-4-amine
SMILESCc1ccc(Nc2ncncc2Br)cc1Br
InChIInChI=1S/C11H9Br2N3/c1-7-2-3-8(4-9(7)12)16-11-10(13)5-14-6-15-11/h2-6H,1H3,(H,14,15,16)
InChIKeyUUSQNVBHMNKDRN-UHFFFAOYSA-N
XLogP4.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.02
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(4-methyl-3-nitrophenyl)pyrimidin-4-amine
CID 66342408
4-N-(5-bromopyrimidin-4-yl)benzene-1,4-diamine
CID 66339869
N-(4-bromo-3-methylphenyl)-5-iodopyrimidin-4-amine
CID 66340130
5-bromo-N-(2,6-dimethylphenyl)pyrimidin-4-amine
CID 66342196
5-bromo-N-(4-pyrimidin-5-ylphenyl)pyrimidin-4-amine
CID 166223616
5-bromo-N-(3-fluorophenyl)pyrimidin-4-amine
CID 66342584
5-bromo-N-(1,3-dihydro-2-benzofuran-5-yl)pyrimidin-4-amine
CID 100669403
N-(3-bromo-4-methylphenyl)-2-chloro-5-methylpyrimidin-4-amine
CID 79073488
N-(3-bromo-4-methylphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80914838
N-(3-bromo-4-methylphenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine
CID 63730041
5-bromo-N-(2,6-dibromophenyl)pyrimidin-4-amine
CID 107603072
5-bromo-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 66342350

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-bromo-4-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-(3-bromo-4-methylphenyl)pyrimidin-4-amine (CID 66318405) is 5-bromo-N-(3-bromo-4-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-(3-bromo-4-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-(3-bromo-4-methylphenyl)pyrimidin-4-amine is Cc1ccc(Nc2ncncc2Br)cc1Br.
What is the InChIKey of 5-bromo-N-(3-bromo-4-methylphenyl)pyrimidin-4-amine?
The InChIKey is UUSQNVBHMNKDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2N3/c1-7-2-3-8(4-9(7)12)16-11-10(13)5-14-6-15-11/h2-6H,1H3,(H,14,15,16).
What are the key properties of 5-bromo-N-(3-bromo-4-methylphenyl)pyrimidin-4-amine?
5-bromo-N-(3-bromo-4-methylphenyl)pyrimidin-4-amine has a molecular weight of 343.02 g/mol, XLogP of 4.05, 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-4-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 66318405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).