4-N-(2-bromo-5-chlorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine

C13H14BrClN4 — CID 81272386

IUPAC4-N-(2-bromo-5-chlorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
SMILESCCc1nc(NC)cc(Nc2cc(Cl)ccc2Br)n1
InChIInChI=1S/C13H14BrClN4/c1-3-11-18-12(16-2)7-13(19-11)17-10-6-8(15)4-5-9(10)14/h4-7H,3H2,1-2H3,(H2,16,17,18,19)
InChIKeyVGMNDGGBDVOSTD-UHFFFAOYSA-N
MW341.64 g/mol
LogP4.24
Rot. Bonds4

About 4-N-(2-bromo-5-chlorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine

4-N-(2-bromo-5-chlorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine (PubChem CID 81272386) has the molecular formula C13H14BrClN4 and a molecular weight of 341.64 g/mol. Its IUPAC name is 4-N-(2-bromo-5-chlorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-bromo-5-chlorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
PubChem CID81272386
Molecular FormulaC13H14BrClN4
Molecular Weight341.64 g/mol
Exact Mass340.01
IUPAC Name4-N-(2-bromo-5-chlorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
SMILESCCc1nc(NC)cc(Nc2cc(Cl)ccc2Br)n1
InChIInChI=1S/C13H14BrClN4/c1-3-11-18-12(16-2)7-13(19-11)17-10-6-8(15)4-5-9(10)14/h4-7H,3H2,1-2H3,(H2,16,17,18,19)
InChIKeyVGMNDGGBDVOSTD-UHFFFAOYSA-N
XLogP4.24
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.64
LogP ≤ 54.24
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-chlorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-bromo-5-chlorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine (CID 81272386) is 4-N-(2-bromo-5-chlorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-bromo-5-chlorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-bromo-5-chlorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine is CCc1nc(NC)cc(Nc2cc(Cl)ccc2Br)n1.
What is the InChIKey of 4-N-(2-bromo-5-chlorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is VGMNDGGBDVOSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN4/c1-3-11-18-12(16-2)7-13(19-11)17-10-6-8(15)4-5-9(10)14/h4-7H,3H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-N-(2-bromo-5-chlorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine?
4-N-(2-bromo-5-chlorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 341.64 g/mol, XLogP of 4.24, 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-chlorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 81272386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).