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

C12H12Br2N4 — CID 107638633

IUPAC5-bromo-4-N-(3-bromo-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(Br)c(Nc2cccc(Br)c2C)n1
InChIInChI=1S/C12H12Br2N4/c1-7-8(13)4-3-5-10(7)17-11-9(14)6-16-12(15-2)18-11/h3-6H,1-2H3,(H2,15,16,17,18)
InChIKeyAMSOCNFIRZGDIV-UHFFFAOYSA-N
MW372.06 g/mol
LogP4.10
Rot. Bonds3

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

5-bromo-4-N-(3-bromo-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine (PubChem CID 107638633) has the molecular formula C12H12Br2N4 and a molecular weight of 372.06 g/mol. Its IUPAC name is 5-bromo-4-N-(3-bromo-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(3-bromo-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
PubChem CID107638633
Molecular FormulaC12H12Br2N4
Molecular Weight372.06 g/mol
Exact Mass369.94
IUPAC Name5-bromo-4-N-(3-bromo-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(Br)c(Nc2cccc(Br)c2C)n1
InChIInChI=1S/C12H12Br2N4/c1-7-8(13)4-3-5-10(7)17-11-9(14)6-16-12(15-2)18-11/h3-6H,1-2H3,(H2,15,16,17,18)
InChIKeyAMSOCNFIRZGDIV-UHFFFAOYSA-N
XLogP4.10
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.06
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(3-bromo-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-(3-bromo-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine (CID 107638633) is 5-bromo-4-N-(3-bromo-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(3-bromo-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-(3-bromo-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine is CNc1ncc(Br)c(Nc2cccc(Br)c2C)n1.
What is the InChIKey of 5-bromo-4-N-(3-bromo-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is AMSOCNFIRZGDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2N4/c1-7-8(13)4-3-5-10(7)17-11-9(14)6-16-12(15-2)18-11/h3-6H,1-2H3,(H2,15,16,17,18).
What are the key properties of 5-bromo-4-N-(3-bromo-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine?
5-bromo-4-N-(3-bromo-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 372.06 g/mol, XLogP of 4.10, 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-bromo-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 107638633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).