N-(2-bromo-4-ethylphenyl)-N,4,6-trimethylpyrimidin-2-amine

C15H18BrN3 — CID 10663467

IUPACN-(2-bromo-4-ethylphenyl)-N,4,6-trimethylpyrimidin-2-amine
SMILESCCc1ccc(N(C)c2nc(C)cc(C)n2)c(Br)c1
InChIInChI=1S/C15H18BrN3/c1-5-12-6-7-14(13(16)9-12)19(4)15-17-10(2)8-11(3)18-15/h6-9H,5H2,1-4H3
InChIKeyBJBJQLPFJLBRHO-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.19
Rot. Bonds3

About N-(2-bromo-4-ethylphenyl)-N,4,6-trimethylpyrimidin-2-amine

N-(2-bromo-4-ethylphenyl)-N,4,6-trimethylpyrimidin-2-amine (PubChem CID 10663467) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is N-(2-bromo-4-ethylphenyl)-N,4,6-trimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-bromo-4-ethylphenyl)-N,4,6-trimethylpyrimidin-2-amine
PubChem CID10663467
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC NameN-(2-bromo-4-ethylphenyl)-N,4,6-trimethylpyrimidin-2-amine
SMILESCCc1ccc(N(C)c2nc(C)cc(C)n2)c(Br)c1
InChIInChI=1S/C15H18BrN3/c1-5-12-6-7-14(13(16)9-12)19(4)15-17-10(2)8-11(3)18-15/h6-9H,5H2,1-4H3
InChIKeyBJBJQLPFJLBRHO-UHFFFAOYSA-N
XLogP4.19
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-ethylphenyl)-N,4,6-trimethylpyrimidin-2-amine?
The IUPAC name of N-(2-bromo-4-ethylphenyl)-N,4,6-trimethylpyrimidin-2-amine (CID 10663467) is N-(2-bromo-4-ethylphenyl)-N,4,6-trimethylpyrimidin-2-amine.
What is the SMILES notation for N-(2-bromo-4-ethylphenyl)-N,4,6-trimethylpyrimidin-2-amine?
The canonical SMILES for N-(2-bromo-4-ethylphenyl)-N,4,6-trimethylpyrimidin-2-amine is CCc1ccc(N(C)c2nc(C)cc(C)n2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-ethylphenyl)-N,4,6-trimethylpyrimidin-2-amine?
The InChIKey is BJBJQLPFJLBRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-5-12-6-7-14(13(16)9-12)19(4)15-17-10(2)8-11(3)18-15/h6-9H,5H2,1-4H3.
What are the key properties of N-(2-bromo-4-ethylphenyl)-N,4,6-trimethylpyrimidin-2-amine?
N-(2-bromo-4-ethylphenyl)-N,4,6-trimethylpyrimidin-2-amine has a molecular weight of 320.23 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-ethylphenyl)-N,4,6-trimethylpyrimidin-2-amine is sourced from PubChem (CID 10663467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).