5-bromo-4-N-(3-bromophenyl)-2-N-methylpyrimidine-2,4-diamine

C11H10Br2N4 — CID 80761231

IUPAC5-bromo-4-N-(3-bromophenyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(Br)c(Nc2cccc(Br)c2)n1
InChIInChI=1S/C11H10Br2N4/c1-14-11-15-6-9(13)10(17-11)16-8-4-2-3-7(12)5-8/h2-6H,1H3,(H2,14,15,16,17)
InChIKeyBQJZBXBQTQZAHK-UHFFFAOYSA-N
MW358.04 g/mol
LogP3.79
Rot. Bonds3

About 5-bromo-4-N-(3-bromophenyl)-2-N-methylpyrimidine-2,4-diamine

5-bromo-4-N-(3-bromophenyl)-2-N-methylpyrimidine-2,4-diamine (PubChem CID 80761231) has the molecular formula C11H10Br2N4 and a molecular weight of 358.04 g/mol. Its IUPAC name is 5-bromo-4-N-(3-bromophenyl)-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(3-bromophenyl)-2-N-methylpyrimidine-2,4-diamine
PubChem CID80761231
Molecular FormulaC11H10Br2N4
Molecular Weight358.04 g/mol
Exact Mass355.93
IUPAC Name5-bromo-4-N-(3-bromophenyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(Br)c(Nc2cccc(Br)c2)n1
InChIInChI=1S/C11H10Br2N4/c1-14-11-15-6-9(13)10(17-11)16-8-4-2-3-7(12)5-8/h2-6H,1H3,(H2,14,15,16,17)
InChIKeyBQJZBXBQTQZAHK-UHFFFAOYSA-N
XLogP3.79
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.04
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-N-[3-(methoxymethyl)phenyl]-2-N-methylpyrimidine-2,4-diamine
CID 80801794
5-bromo-4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 104781960
5-bromo-2-N-methyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 80728679
5-bromo-4-N-(4-chlorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80761431
5-bromo-2-N-methyl-4-N-(3,4,5-trifluorophenyl)pyrimidine-2,4-diamine
CID 80825733
5-bromo-4-N-(5-bromo-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80789337
5-chloro-2-N-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 80755325
5-bromo-4-N-(3-bromo-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 107638633
5-bromo-2-methyl-N-(3-methylphenyl)pyrimidin-4-amine
CID 142898848
5-bromo-2-N-methyl-4-N-(4-propylphenyl)pyrimidine-2,4-diamine
CID 80780077
5-bromo-4-(3-bromophenyl)sulfanyl-N-methylpyrimidin-2-amine
CID 80888784
5-bromo-4-N-(2,4-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80759983

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(3-bromophenyl)-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-(3-bromophenyl)-2-N-methylpyrimidine-2,4-diamine (CID 80761231) is 5-bromo-4-N-(3-bromophenyl)-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(3-bromophenyl)-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-(3-bromophenyl)-2-N-methylpyrimidine-2,4-diamine is CNc1ncc(Br)c(Nc2cccc(Br)c2)n1.
What is the InChIKey of 5-bromo-4-N-(3-bromophenyl)-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is BQJZBXBQTQZAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2N4/c1-14-11-15-6-9(13)10(17-11)16-8-4-2-3-7(12)5-8/h2-6H,1H3,(H2,14,15,16,17).
What are the key properties of 5-bromo-4-N-(3-bromophenyl)-2-N-methylpyrimidine-2,4-diamine?
5-bromo-4-N-(3-bromophenyl)-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 358.04 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(3-bromophenyl)-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80761231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).