5-bromo-6-tert-butyl-2-(2,2-dimethylcyclopropyl)-N-ethylpyrimidin-4-amine

C15H24BrN3 — CID 107925707

IUPAC5-bromo-6-tert-butyl-2-(2,2-dimethylcyclopropyl)-N-ethylpyrimidin-4-amine
SMILESCCNc1nc(C2CC2(C)C)nc(C(C)(C)C)c1Br
InChIInChI=1S/C15H24BrN3/c1-7-17-13-10(16)11(14(2,3)4)18-12(19-13)9-8-15(9,5)6/h9H,7-8H2,1-6H3,(H,17,18,19)
InChIKeyLIEOPFSZJGLDMY-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.48
Rot. Bonds3

About 5-bromo-6-tert-butyl-2-(2,2-dimethylcyclopropyl)-N-ethylpyrimidin-4-amine

5-bromo-6-tert-butyl-2-(2,2-dimethylcyclopropyl)-N-ethylpyrimidin-4-amine (PubChem CID 107925707) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is 5-bromo-6-tert-butyl-2-(2,2-dimethylcyclopropyl)-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-tert-butyl-2-(2,2-dimethylcyclopropyl)-N-ethylpyrimidin-4-amine
PubChem CID107925707
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC Name5-bromo-6-tert-butyl-2-(2,2-dimethylcyclopropyl)-N-ethylpyrimidin-4-amine
SMILESCCNc1nc(C2CC2(C)C)nc(C(C)(C)C)c1Br
InChIInChI=1S/C15H24BrN3/c1-7-17-13-10(16)11(14(2,3)4)18-12(19-13)9-8-15(9,5)6/h9H,7-8H2,1-6H3,(H,17,18,19)
InChIKeyLIEOPFSZJGLDMY-UHFFFAOYSA-N
XLogP4.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-tert-butyl-2-(2,2-dimethylcyclopropyl)-N-ethylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-tert-butyl-2-(2,2-dimethylcyclopropyl)-N-ethylpyrimidin-4-amine (CID 107925707) is 5-bromo-6-tert-butyl-2-(2,2-dimethylcyclopropyl)-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-tert-butyl-2-(2,2-dimethylcyclopropyl)-N-ethylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-tert-butyl-2-(2,2-dimethylcyclopropyl)-N-ethylpyrimidin-4-amine is CCNc1nc(C2CC2(C)C)nc(C(C)(C)C)c1Br.
What is the InChIKey of 5-bromo-6-tert-butyl-2-(2,2-dimethylcyclopropyl)-N-ethylpyrimidin-4-amine?
The InChIKey is LIEOPFSZJGLDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-7-17-13-10(16)11(14(2,3)4)18-12(19-13)9-8-15(9,5)6/h9H,7-8H2,1-6H3,(H,17,18,19).
What are the key properties of 5-bromo-6-tert-butyl-2-(2,2-dimethylcyclopropyl)-N-ethylpyrimidin-4-amine?
5-bromo-6-tert-butyl-2-(2,2-dimethylcyclopropyl)-N-ethylpyrimidin-4-amine has a molecular weight of 326.28 g/mol, XLogP of 4.48, 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-(2,2-dimethylcyclopropyl)-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 107925707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).