5-bromo-6-tert-butyl-N-methyl-2-(4-methylphenyl)pyrimidin-4-amine

C16H20BrN3 — CID 66305215

IUPAC5-bromo-6-tert-butyl-N-methyl-2-(4-methylphenyl)pyrimidin-4-amine
SMILESCNc1nc(-c2ccc(C)cc2)nc(C(C)(C)C)c1Br
InChIInChI=1S/C16H20BrN3/c1-10-6-8-11(9-7-10)14-19-13(16(2,3)4)12(17)15(18-5)20-14/h6-9H,1-5H3,(H,18,19,20)
InChIKeyMCJRNQZSLLIZNF-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.55
Rot. Bonds2

About 5-bromo-6-tert-butyl-N-methyl-2-(4-methylphenyl)pyrimidin-4-amine

5-bromo-6-tert-butyl-N-methyl-2-(4-methylphenyl)pyrimidin-4-amine (PubChem CID 66305215) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 5-bromo-6-tert-butyl-N-methyl-2-(4-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-tert-butyl-N-methyl-2-(4-methylphenyl)pyrimidin-4-amine
PubChem CID66305215
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name5-bromo-6-tert-butyl-N-methyl-2-(4-methylphenyl)pyrimidin-4-amine
SMILESCNc1nc(-c2ccc(C)cc2)nc(C(C)(C)C)c1Br
InChIInChI=1S/C16H20BrN3/c1-10-6-8-11(9-7-10)14-19-13(16(2,3)4)12(17)15(18-5)20-14/h6-9H,1-5H3,(H,18,19,20)
InChIKeyMCJRNQZSLLIZNF-UHFFFAOYSA-N
XLogP4.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.55
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-2-(4-ethylphenyl)-N-methylpyrimidin-4-amine
CID 66304825
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
5-bromo-6-tert-butyl-N-methyl-2-(3-methylfuran-2-yl)pyrimidin-4-amine
CID 104806787
5-bromo-6-tert-butyl-N-methyl-2-thiophen-2-ylpyrimidin-4-amine
CID 66305015
5-bromo-6-tert-butyl-2-(4-fluoro-2-methylphenyl)-N-methylpyrimidin-4-amine
CID 81274493
5-bromo-6-tert-butyl-N-methyl-2-(1H-1,2,4-triazol-5-yl)pyrimidin-4-amine
CID 66307006
5-bromo-N,6-dimethyl-2-(4-methylsulfanylphenyl)pyrimidin-4-amine
CID 66304226
2-(3-bromophenyl)-6-tert-butyl-5-iodo-N-methylpyrimidin-4-amine
CID 66298821
5-bromo-N,6-dimethyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 66304033
5-bromo-2-(3-bromo-4-methylphenyl)-N,6-dimethylpyrimidin-4-amine
CID 105410427

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-tert-butyl-N-methyl-2-(4-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-tert-butyl-N-methyl-2-(4-methylphenyl)pyrimidin-4-amine (CID 66305215) is 5-bromo-6-tert-butyl-N-methyl-2-(4-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-tert-butyl-N-methyl-2-(4-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-tert-butyl-N-methyl-2-(4-methylphenyl)pyrimidin-4-amine is CNc1nc(-c2ccc(C)cc2)nc(C(C)(C)C)c1Br.
What is the InChIKey of 5-bromo-6-tert-butyl-N-methyl-2-(4-methylphenyl)pyrimidin-4-amine?
The InChIKey is MCJRNQZSLLIZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-10-6-8-11(9-7-10)14-19-13(16(2,3)4)12(17)15(18-5)20-14/h6-9H,1-5H3,(H,18,19,20).
What are the key properties of 5-bromo-6-tert-butyl-N-methyl-2-(4-methylphenyl)pyrimidin-4-amine?
5-bromo-6-tert-butyl-N-methyl-2-(4-methylphenyl)pyrimidin-4-amine has a molecular weight of 334.26 g/mol, XLogP of 4.55, 2 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-N-methyl-2-(4-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 66305215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).