5-bromo-6-tert-butyl-2-(4-ethylphenyl)-N-methylpyrimidin-4-amine

C17H22BrN3 — CID 66304825

IUPAC5-bromo-6-tert-butyl-2-(4-ethylphenyl)-N-methylpyrimidin-4-amine
SMILESCCc1ccc(-c2nc(NC)c(Br)c(C(C)(C)C)n2)cc1
InChIInChI=1S/C17H22BrN3/c1-6-11-7-9-12(10-8-11)15-20-14(17(2,3)4)13(18)16(19-5)21-15/h7-10H,6H2,1-5H3,(H,19,20,21)
InChIKeyLWQBINLUTQHEQF-UHFFFAOYSA-N
MW348.29 g/mol
LogP4.81
Rot. Bonds3

About 5-bromo-6-tert-butyl-2-(4-ethylphenyl)-N-methylpyrimidin-4-amine

5-bromo-6-tert-butyl-2-(4-ethylphenyl)-N-methylpyrimidin-4-amine (PubChem CID 66304825) has the molecular formula C17H22BrN3 and a molecular weight of 348.29 g/mol. Its IUPAC name is 5-bromo-6-tert-butyl-2-(4-ethylphenyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-tert-butyl-2-(4-ethylphenyl)-N-methylpyrimidin-4-amine
PubChem CID66304825
Molecular FormulaC17H22BrN3
Molecular Weight348.29 g/mol
Exact Mass347.10
IUPAC Name5-bromo-6-tert-butyl-2-(4-ethylphenyl)-N-methylpyrimidin-4-amine
SMILESCCc1ccc(-c2nc(NC)c(Br)c(C(C)(C)C)n2)cc1
InChIInChI=1S/C17H22BrN3/c1-6-11-7-9-12(10-8-11)15-20-14(17(2,3)4)13(18)16(19-5)21-15/h7-10H,6H2,1-5H3,(H,19,20,21)
InChIKeyLWQBINLUTQHEQF-UHFFFAOYSA-N
XLogP4.81
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.29
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(4-bromophenyl)-6-tert-butyl-N-methylpyrimidin-4-amine
CID 66306418
5-bromo-6-tert-butyl-N-methyl-2-(4-methylphenyl)pyrimidin-4-amine
CID 66305215
5-bromo-2-(4-ethylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 66301290
5-bromo-6-tert-butyl-2-(3,4-difluorophenyl)-N-methylpyrimidin-4-amine
CID 66304625
5-bromo-6-tert-butyl-2-(4-chloro-3-fluorophenyl)-N-methylpyrimidin-4-amine
CID 66297317
6-ethyl-2-(4-ethylphenyl)-N,5-dimethylpyrimidin-4-amine
CID 63562088
2-(4-ethylphenyl)-4-N,5-dimethylpyrimidine-4,6-diamine
CID 123997974
5-bromo-6-tert-butyl-N-methyl-2-thiophen-2-ylpyrimidin-4-amine
CID 66305015
5-bromo-6-tert-butyl-N-methyl-2-(3-methylfuran-2-yl)pyrimidin-4-amine
CID 104806787
5-bromo-6-tert-butyl-2-(4-fluoro-2-methylphenyl)-N-methylpyrimidin-4-amine
CID 81274493
2-(4-ethylphenyl)-N-methylquinazolin-4-amine
CID 63500302
5-bromo-6-tert-butyl-N-methyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
CID 66307006

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-tert-butyl-2-(4-ethylphenyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-tert-butyl-2-(4-ethylphenyl)-N-methylpyrimidin-4-amine (CID 66304825) is 5-bromo-6-tert-butyl-2-(4-ethylphenyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-tert-butyl-2-(4-ethylphenyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-tert-butyl-2-(4-ethylphenyl)-N-methylpyrimidin-4-amine is CCc1ccc(-c2nc(NC)c(Br)c(C(C)(C)C)n2)cc1.
What is the InChIKey of 5-bromo-6-tert-butyl-2-(4-ethylphenyl)-N-methylpyrimidin-4-amine?
The InChIKey is LWQBINLUTQHEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3/c1-6-11-7-9-12(10-8-11)15-20-14(17(2,3)4)13(18)16(19-5)21-15/h7-10H,6H2,1-5H3,(H,19,20,21).
What are the key properties of 5-bromo-6-tert-butyl-2-(4-ethylphenyl)-N-methylpyrimidin-4-amine?
5-bromo-6-tert-butyl-2-(4-ethylphenyl)-N-methylpyrimidin-4-amine has a molecular weight of 348.29 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-tert-butyl-2-(4-ethylphenyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66304825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).