5-bromo-4-N-(4-chlorophenyl)-2-N-methylpyrimidine-2,4-diamine

C11H10BrClN4 — CID 80761431

IUPAC5-bromo-4-N-(4-chlorophenyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(Br)c(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C11H10BrClN4/c1-14-11-15-6-9(12)10(17-11)16-8-4-2-7(13)3-5-8/h2-6H,1H3,(H2,14,15,16,17)
InChIKeyQUIUXVAMIDWUJX-UHFFFAOYSA-N
MW313.59 g/mol
LogP3.68
Rot. Bonds3

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

5-bromo-4-N-(4-chlorophenyl)-2-N-methylpyrimidine-2,4-diamine (PubChem CID 80761431) has the molecular formula C11H10BrClN4 and a molecular weight of 313.59 g/mol. Its IUPAC name is 5-bromo-4-N-(4-chlorophenyl)-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(4-chlorophenyl)-2-N-methylpyrimidine-2,4-diamine
PubChem CID80761431
Molecular FormulaC11H10BrClN4
Molecular Weight313.59 g/mol
Exact Mass311.98
IUPAC Name5-bromo-4-N-(4-chlorophenyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(Br)c(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C11H10BrClN4/c1-14-11-15-6-9(12)10(17-11)16-8-4-2-7(13)3-5-8/h2-6H,1H3,(H2,14,15,16,17)
InChIKeyQUIUXVAMIDWUJX-UHFFFAOYSA-N
XLogP3.68
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.59
LogP ≤ 53.68
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-(4-chlorophenyl)-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-(4-chlorophenyl)-2-N-methylpyrimidine-2,4-diamine (CID 80761431) is 5-bromo-4-N-(4-chlorophenyl)-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(4-chlorophenyl)-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-(4-chlorophenyl)-2-N-methylpyrimidine-2,4-diamine is CNc1ncc(Br)c(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 5-bromo-4-N-(4-chlorophenyl)-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is QUIUXVAMIDWUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN4/c1-14-11-15-6-9(12)10(17-11)16-8-4-2-7(13)3-5-8/h2-6H,1H3,(H2,14,15,16,17).
What are the key properties of 5-bromo-4-N-(4-chlorophenyl)-2-N-methylpyrimidine-2,4-diamine?
5-bromo-4-N-(4-chlorophenyl)-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 313.59 g/mol, XLogP of 3.68, 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-(4-chlorophenyl)-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80761431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).