4-N-(2-bromo-5-chloro-4-methylphenyl)-5-chloro-2-N-ethylpyrimidine-2,4-diamine

C13H13BrCl2N4 — CID 104725527

IUPAC4-N-(2-bromo-5-chloro-4-methylphenyl)-5-chloro-2-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1ncc(Cl)c(Nc2cc(Cl)c(C)cc2Br)n1
InChIInChI=1S/C13H13BrCl2N4/c1-3-17-13-18-6-10(16)12(20-13)19-11-5-9(15)7(2)4-8(11)14/h4-6H,3H2,1-2H3,(H2,17,18,19,20)
InChIKeyGOWGBLCUTKZTRB-UHFFFAOYSA-N
MW376.09 g/mol
LogP5.03
Rot. Bonds4

About 4-N-(2-bromo-5-chloro-4-methylphenyl)-5-chloro-2-N-ethylpyrimidine-2,4-diamine

4-N-(2-bromo-5-chloro-4-methylphenyl)-5-chloro-2-N-ethylpyrimidine-2,4-diamine (PubChem CID 104725527) has the molecular formula C13H13BrCl2N4 and a molecular weight of 376.09 g/mol. Its IUPAC name is 4-N-(2-bromo-5-chloro-4-methylphenyl)-5-chloro-2-N-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-bromo-5-chloro-4-methylphenyl)-5-chloro-2-N-ethylpyrimidine-2,4-diamine
PubChem CID104725527
Molecular FormulaC13H13BrCl2N4
Molecular Weight376.09 g/mol
Exact Mass373.97
IUPAC Name4-N-(2-bromo-5-chloro-4-methylphenyl)-5-chloro-2-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1ncc(Cl)c(Nc2cc(Cl)c(C)cc2Br)n1
InChIInChI=1S/C13H13BrCl2N4/c1-3-17-13-18-6-10(16)12(20-13)19-11-5-9(15)7(2)4-8(11)14/h4-6H,3H2,1-2H3,(H2,17,18,19,20)
InChIKeyGOWGBLCUTKZTRB-UHFFFAOYSA-N
XLogP5.03
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.09
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromo-5-chloro-4-methylphenyl)-5-chloro-2-N-ethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-bromo-5-chloro-4-methylphenyl)-5-chloro-2-N-ethylpyrimidine-2,4-diamine (CID 104725527) is 4-N-(2-bromo-5-chloro-4-methylphenyl)-5-chloro-2-N-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-bromo-5-chloro-4-methylphenyl)-5-chloro-2-N-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-bromo-5-chloro-4-methylphenyl)-5-chloro-2-N-ethylpyrimidine-2,4-diamine is CCNc1ncc(Cl)c(Nc2cc(Cl)c(C)cc2Br)n1.
What is the InChIKey of 4-N-(2-bromo-5-chloro-4-methylphenyl)-5-chloro-2-N-ethylpyrimidine-2,4-diamine?
The InChIKey is GOWGBLCUTKZTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrCl2N4/c1-3-17-13-18-6-10(16)12(20-13)19-11-5-9(15)7(2)4-8(11)14/h4-6H,3H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-N-(2-bromo-5-chloro-4-methylphenyl)-5-chloro-2-N-ethylpyrimidine-2,4-diamine?
4-N-(2-bromo-5-chloro-4-methylphenyl)-5-chloro-2-N-ethylpyrimidine-2,4-diamine has a molecular weight of 376.09 g/mol, XLogP of 5.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bromo-5-chloro-4-methylphenyl)-5-chloro-2-N-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 104725527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).