N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-(2,4,6-trimethylphenyl)pyrimidin-2-amine

C25H30BrN3 — CID 18691306

IUPACN-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-(2,4,6-trimethylphenyl)pyrimidin-2-amine
SMILESCCN(c1nc(C)cc(-c2c(C)cc(C)cc2C)n1)c1ccc(C(C)C)cc1Br
InChIInChI=1S/C25H30BrN3/c1-8-29(23-10-9-20(15(2)3)14-21(23)26)25-27-19(7)13-22(28-25)24-17(5)11-16(4)12-18(24)6/h9-15H,8H2,1-7H3
InChIKeyWHWJEXRXSIILEZ-UHFFFAOYSA-N
MW452.44 g/mol
LogP7.42
Rot. Bonds5

About N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-(2,4,6-trimethylphenyl)pyrimidin-2-amine

N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-(2,4,6-trimethylphenyl)pyrimidin-2-amine (PubChem CID 18691306) has the molecular formula C25H30BrN3 and a molecular weight of 452.44 g/mol. Its IUPAC name is N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-(2,4,6-trimethylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-(2,4,6-trimethylphenyl)pyrimidin-2-amine
PubChem CID18691306
Molecular FormulaC25H30BrN3
Molecular Weight452.44 g/mol
Exact Mass451.16
IUPAC NameN-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-(2,4,6-trimethylphenyl)pyrimidin-2-amine
SMILESCCN(c1nc(C)cc(-c2c(C)cc(C)cc2C)n1)c1ccc(C(C)C)cc1Br
InChIInChI=1S/C25H30BrN3/c1-8-29(23-10-9-20(15(2)3)14-21(23)26)25-27-19(7)13-22(28-25)24-17(5)11-16(4)12-18(24)6/h9-15H,8H2,1-7H3
InChIKeyWHWJEXRXSIILEZ-UHFFFAOYSA-N
XLogP7.42
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.44
LogP ≤ 57.42
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-propan-2-ylphenyl)-N-ethyl-4-methyl-6-(2,4,6-trimethylphenyl)pyrimidin-2-amine?
The IUPAC name of N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-(2,4,6-trimethylphenyl)pyrimidin-2-amine (CID 18691306) is N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-(2,4,6-trimethylphenyl)pyrimidin-2-amine.
What is the SMILES notation for N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-(2,4,6-trimethylphenyl)pyrimidin-2-amine?
The canonical SMILES for N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-(2,4,6-trimethylphenyl)pyrimidin-2-amine is CCN(c1nc(C)cc(-c2c(C)cc(C)cc2C)n1)c1ccc(C(C)C)cc1Br.
What is the InChIKey of N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-(2,4,6-trimethylphenyl)pyrimidin-2-amine?
The InChIKey is WHWJEXRXSIILEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30BrN3/c1-8-29(23-10-9-20(15(2)3)14-21(23)26)25-27-19(7)13-22(28-25)24-17(5)11-16(4)12-18(24)6/h9-15H,8H2,1-7H3.
What are the key properties of N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-(2,4,6-trimethylphenyl)pyrimidin-2-amine?
N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-(2,4,6-trimethylphenyl)pyrimidin-2-amine has a molecular weight of 452.44 g/mol, XLogP of 7.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-propan-2-ylphenyl)-N-ethyl-4-methyl-6-(2,4,6-trimethylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 18691306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).