5-bromo-2-(2,2-dimethylcyclopropyl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine

C15H24BrN3 — CID 107925754

IUPAC5-bromo-2-(2,2-dimethylcyclopropyl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine
SMILESCCNc1nc(C2CC2(C)C)nc(CC(C)C)c1Br
InChIInChI=1S/C15H24BrN3/c1-6-17-14-12(16)11(7-9(2)3)18-13(19-14)10-8-15(10,4)5/h9-10H,6-8H2,1-5H3,(H,17,18,19)
InChIKeyIEKMTTQRJGGPBS-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.38
Rot. Bonds5

About 5-bromo-2-(2,2-dimethylcyclopropyl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine

5-bromo-2-(2,2-dimethylcyclopropyl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine (PubChem CID 107925754) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is 5-bromo-2-(2,2-dimethylcyclopropyl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(2,2-dimethylcyclopropyl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine
PubChem CID107925754
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC Name5-bromo-2-(2,2-dimethylcyclopropyl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine
SMILESCCNc1nc(C2CC2(C)C)nc(CC(C)C)c1Br
InChIInChI=1S/C15H24BrN3/c1-6-17-14-12(16)11(7-9(2)3)18-13(19-14)10-8-15(10,4)5/h9-10H,6-8H2,1-5H3,(H,17,18,19)
InChIKeyIEKMTTQRJGGPBS-UHFFFAOYSA-N
XLogP4.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,2-dimethylcyclopropyl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(2,2-dimethylcyclopropyl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine (CID 107925754) is 5-bromo-2-(2,2-dimethylcyclopropyl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(2,2-dimethylcyclopropyl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(2,2-dimethylcyclopropyl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine is CCNc1nc(C2CC2(C)C)nc(CC(C)C)c1Br.
What is the InChIKey of 5-bromo-2-(2,2-dimethylcyclopropyl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine?
The InChIKey is IEKMTTQRJGGPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-6-17-14-12(16)11(7-9(2)3)18-13(19-14)10-8-15(10,4)5/h9-10H,6-8H2,1-5H3,(H,17,18,19).
What are the key properties of 5-bromo-2-(2,2-dimethylcyclopropyl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine?
5-bromo-2-(2,2-dimethylcyclopropyl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine has a molecular weight of 326.28 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,2-dimethylcyclopropyl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 107925754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).