5-bromo-N-ethyl-2-(2-methylpropyl)-6-propan-2-ylpyrimidin-4-amine

C13H22BrN3 — CID 66300310

IUPAC5-bromo-N-ethyl-2-(2-methylpropyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(CC(C)C)nc(C(C)C)c1Br
InChIInChI=1S/C13H22BrN3/c1-6-15-13-11(14)12(9(4)5)16-10(17-13)7-8(2)3/h8-9H,6-7H2,1-5H3,(H,15,16,17)
InChIKeyINXUEBSCILJFLR-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.99
Rot. Bonds5

About 5-bromo-N-ethyl-2-(2-methylpropyl)-6-propan-2-ylpyrimidin-4-amine

5-bromo-N-ethyl-2-(2-methylpropyl)-6-propan-2-ylpyrimidin-4-amine (PubChem CID 66300310) has the molecular formula C13H22BrN3 and a molecular weight of 300.24 g/mol. Its IUPAC name is 5-bromo-N-ethyl-2-(2-methylpropyl)-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-2-(2-methylpropyl)-6-propan-2-ylpyrimidin-4-amine
PubChem CID66300310
Molecular FormulaC13H22BrN3
Molecular Weight300.24 g/mol
Exact Mass299.10
IUPAC Name5-bromo-N-ethyl-2-(2-methylpropyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(CC(C)C)nc(C(C)C)c1Br
InChIInChI=1S/C13H22BrN3/c1-6-15-13-11(14)12(9(4)5)16-10(17-13)7-8(2)3/h8-9H,6-7H2,1-5H3,(H,15,16,17)
InChIKeyINXUEBSCILJFLR-UHFFFAOYSA-N
XLogP3.99
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-2-(2-methylpropyl)-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N-ethyl-2-(2-methylpropyl)-6-propan-2-ylpyrimidin-4-amine (CID 66300310) is 5-bromo-N-ethyl-2-(2-methylpropyl)-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-ethyl-2-(2-methylpropyl)-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-ethyl-2-(2-methylpropyl)-6-propan-2-ylpyrimidin-4-amine is CCNc1nc(CC(C)C)nc(C(C)C)c1Br.
What is the InChIKey of 5-bromo-N-ethyl-2-(2-methylpropyl)-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is INXUEBSCILJFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN3/c1-6-15-13-11(14)12(9(4)5)16-10(17-13)7-8(2)3/h8-9H,6-7H2,1-5H3,(H,15,16,17).
What are the key properties of 5-bromo-N-ethyl-2-(2-methylpropyl)-6-propan-2-ylpyrimidin-4-amine?
5-bromo-N-ethyl-2-(2-methylpropyl)-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 300.24 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-2-(2-methylpropyl)-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 66300310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).