5-bromo-6-tert-butyl-2-(2,6-dimethyl-4-pyridinyl)pyrimidin-4-amine

C15H19BrN4 — CID 107504344

IUPAC5-bromo-6-tert-butyl-2-(2,6-dimethyl-4-pyridinyl)pyrimidin-4-amine
SMILESCc1cc(-c2nc(N)c(Br)c(C(C)(C)C)n2)cc(C)n1
InChIInChI=1S/C15H19BrN4/c1-8-6-10(7-9(2)18-8)14-19-12(15(3,4)5)11(16)13(17)20-14/h6-7H,1-5H3,(H2,17,19,20)
InChIKeyYMZVVDAJHFSRRI-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.80
Rot. Bonds1

About 5-bromo-6-tert-butyl-2-(2,6-dimethyl-4-pyridinyl)pyrimidin-4-amine

5-bromo-6-tert-butyl-2-(2,6-dimethyl-4-pyridinyl)pyrimidin-4-amine (PubChem CID 107504344) has the molecular formula C15H19BrN4 and a molecular weight of 335.25 g/mol. Its IUPAC name is 5-bromo-6-tert-butyl-2-(2,6-dimethyl-4-pyridinyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-tert-butyl-2-(2,6-dimethyl-4-pyridinyl)pyrimidin-4-amine
PubChem CID107504344
Molecular FormulaC15H19BrN4
Molecular Weight335.25 g/mol
Exact Mass334.08
IUPAC Name5-bromo-6-tert-butyl-2-(2,6-dimethyl-4-pyridinyl)pyrimidin-4-amine
SMILESCc1cc(-c2nc(N)c(Br)c(C(C)(C)C)n2)cc(C)n1
InChIInChI=1S/C15H19BrN4/c1-8-6-10(7-9(2)18-8)14-19-12(15(3,4)5)11(16)13(17)20-14/h6-7H,1-5H3,(H2,17,19,20)
InChIKeyYMZVVDAJHFSRRI-UHFFFAOYSA-N
XLogP3.80
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(4-bromo-3-fluorophenyl)-6-tert-butylpyrimidin-4-amine
CID 81440655
5-bromo-2-(3-bromo-4-fluorophenyl)-6-tert-butylpyrimidin-4-amine
CID 82801275
5-bromo-6-tert-butyl-2-(3-fluorophenyl)pyrimidin-4-amine
CID 66307404
5-bromo-6-tert-butyl-2-(furan-3-yl)pyrimidin-4-amine
CID 66307204
5-bromo-6-tert-butyl-2-(3-methoxyphenyl)pyrimidin-4-amine
CID 66307405
5-bromo-2-(4-bromothiophen-2-yl)-6-tert-butylpyrimidin-4-amine
CID 66304612
5-bromo-6-tert-butyl-2-(3-methyl-2-pyridinyl)pyrimidin-4-amine
CID 66304809
5-bromo-6-tert-butyl-2-(4,5-dibromothiophen-2-yl)pyrimidin-4-amine
CID 102843975
5-bromo-6-tert-butyl-2-[3-(methoxymethyl)phenyl]pyrimidin-4-amine
CID 66297312
6-tert-butyl-2-(3,5-dimethylphenyl)-5-iodopyrimidin-4-amine
CID 66296933
5-bromo-6-tert-butyl-2-(1,5-dimethylpyrazol-4-yl)pyrimidin-4-amine
CID 79584597
5-bromo-6-tert-butyl-2-(3-ethylimidazol-4-yl)pyrimidin-4-amine
CID 66295384

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-tert-butyl-2-(2,6-dimethyl-4-pyridinyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-tert-butyl-2-(2,6-dimethyl-4-pyridinyl)pyrimidin-4-amine (CID 107504344) is 5-bromo-6-tert-butyl-2-(2,6-dimethyl-4-pyridinyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-tert-butyl-2-(2,6-dimethyl-4-pyridinyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-tert-butyl-2-(2,6-dimethyl-4-pyridinyl)pyrimidin-4-amine is Cc1cc(-c2nc(N)c(Br)c(C(C)(C)C)n2)cc(C)n1.
What is the InChIKey of 5-bromo-6-tert-butyl-2-(2,6-dimethyl-4-pyridinyl)pyrimidin-4-amine?
The InChIKey is YMZVVDAJHFSRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4/c1-8-6-10(7-9(2)18-8)14-19-12(15(3,4)5)11(16)13(17)20-14/h6-7H,1-5H3,(H2,17,19,20).
What are the key properties of 5-bromo-6-tert-butyl-2-(2,6-dimethyl-4-pyridinyl)pyrimidin-4-amine?
5-bromo-6-tert-butyl-2-(2,6-dimethyl-4-pyridinyl)pyrimidin-4-amine has a molecular weight of 335.25 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-tert-butyl-2-(2,6-dimethyl-4-pyridinyl)pyrimidin-4-amine is sourced from PubChem (CID 107504344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).