5-bromo-2,6-ditert-butyl-N-ethylpyrimidin-4-amine

C14H24BrN3 — CID 66307012

IUPAC5-bromo-2,6-ditert-butyl-N-ethylpyrimidin-4-amine
SMILESCCNc1nc(C(C)(C)C)nc(C(C)(C)C)c1Br
InChIInChI=1S/C14H24BrN3/c1-8-16-11-9(15)10(13(2,3)4)17-12(18-11)14(5,6)7/h8H2,1-7H3,(H,16,17,18)
InChIKeyRHAGRBWGQIEVTJ-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.27
Rot. Bonds2

About 5-bromo-2,6-ditert-butyl-N-ethylpyrimidin-4-amine

5-bromo-2,6-ditert-butyl-N-ethylpyrimidin-4-amine (PubChem CID 66307012) has the molecular formula C14H24BrN3 and a molecular weight of 314.27 g/mol. Its IUPAC name is 5-bromo-2,6-ditert-butyl-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2,6-ditert-butyl-N-ethylpyrimidin-4-amine
PubChem CID66307012
Molecular FormulaC14H24BrN3
Molecular Weight314.27 g/mol
Exact Mass313.12
IUPAC Name5-bromo-2,6-ditert-butyl-N-ethylpyrimidin-4-amine
SMILESCCNc1nc(C(C)(C)C)nc(C(C)(C)C)c1Br
InChIInChI=1S/C14H24BrN3/c1-8-16-11-9(15)10(13(2,3)4)17-12(18-11)14(5,6)7/h8H2,1-7H3,(H,16,17,18)
InChIKeyRHAGRBWGQIEVTJ-UHFFFAOYSA-N
XLogP4.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2,6-ditert-butyl-N-propylpyrimidin-4-amine
CID 66305031
2,6-ditert-butyl-N-ethyl-5-iodopyrimidin-4-amine
CID 66299999
5-bromo-6-tert-butyl-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 66307413
5-bromo-6-tert-butyl-N-ethyl-2-(2-methylcyclopropyl)pyrimidin-4-amine
CID 66306616
5-bromo-2-(4-bromothiophen-2-yl)-6-tert-butyl-N-ethylpyrimidin-4-amine
CID 66305425
5-bromo-6-tert-butyl-2-(2,2-dimethylcyclopropyl)-N-ethylpyrimidin-4-amine
CID 107925707
5-bromo-6-tert-butyl-N-ethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine
CID 66304640
5-bromo-6-tert-butyl-2-(2-ethoxyethyl)-N-ethylpyrimidin-4-amine
CID 106815295
5-bromo-6-tert-butyl-N-ethyl-2-(3-methoxypropyl)pyrimidin-4-amine
CID 66307013
5-bromo-N-ethyl-2-(2-methoxypropan-2-yl)-6-methylpyrimidin-4-amine
CID 79196793
5-bromo-6-tert-butyl-2-(3-chlorophenyl)-N-ethylpyrimidin-4-amine
CID 66307616
5-bromo-6-tert-butyl-N-ethyl-2-(oxolan-3-yl)pyrimidin-4-amine
CID 66307213

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,6-ditert-butyl-N-ethylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2,6-ditert-butyl-N-ethylpyrimidin-4-amine (CID 66307012) is 5-bromo-2,6-ditert-butyl-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2,6-ditert-butyl-N-ethylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2,6-ditert-butyl-N-ethylpyrimidin-4-amine is CCNc1nc(C(C)(C)C)nc(C(C)(C)C)c1Br.
What is the InChIKey of 5-bromo-2,6-ditert-butyl-N-ethylpyrimidin-4-amine?
The InChIKey is RHAGRBWGQIEVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3/c1-8-16-11-9(15)10(13(2,3)4)17-12(18-11)14(5,6)7/h8H2,1-7H3,(H,16,17,18).
What are the key properties of 5-bromo-2,6-ditert-butyl-N-ethylpyrimidin-4-amine?
5-bromo-2,6-ditert-butyl-N-ethylpyrimidin-4-amine has a molecular weight of 314.27 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,6-ditert-butyl-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 66307012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).