5-bromo-6-tert-butyl-2-(1,4-dioxan-2-yl)-N-propylpyrimidin-4-amine

C15H24BrN3O2 — CID 66305829

IUPAC5-bromo-6-tert-butyl-2-(1,4-dioxan-2-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2COCCO2)nc(C(C)(C)C)c1Br
InChIInChI=1S/C15H24BrN3O2/c1-5-6-17-14-11(16)12(15(2,3)4)18-13(19-14)10-9-20-7-8-21-10/h10H,5-9H2,1-4H3,(H,17,18,19)
InChIKeyQDQGPFLOKBYTJF-UHFFFAOYSA-N
MW358.28 g/mol
LogP3.45
Rot. Bonds4

About 5-bromo-6-tert-butyl-2-(1,4-dioxan-2-yl)-N-propylpyrimidin-4-amine

5-bromo-6-tert-butyl-2-(1,4-dioxan-2-yl)-N-propylpyrimidin-4-amine (PubChem CID 66305829) has the molecular formula C15H24BrN3O2 and a molecular weight of 358.28 g/mol. Its IUPAC name is 5-bromo-6-tert-butyl-2-(1,4-dioxan-2-yl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-tert-butyl-2-(1,4-dioxan-2-yl)-N-propylpyrimidin-4-amine
PubChem CID66305829
Molecular FormulaC15H24BrN3O2
Molecular Weight358.28 g/mol
Exact Mass357.11
IUPAC Name5-bromo-6-tert-butyl-2-(1,4-dioxan-2-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2COCCO2)nc(C(C)(C)C)c1Br
InChIInChI=1S/C15H24BrN3O2/c1-5-6-17-14-11(16)12(15(2,3)4)18-13(19-14)10-9-20-7-8-21-10/h10H,5-9H2,1-4H3,(H,17,18,19)
InChIKeyQDQGPFLOKBYTJF-UHFFFAOYSA-N
XLogP3.45
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-6-tert-butyl-2-(1,4-dioxan-2-yl)-N-ethylpyrimidin-4-amine
CID 66306424
5-bromo-6-tert-butyl-2-(1,4-dioxan-2-yl)-N-methylpyrimidin-4-amine
CID 66305819
2-(1,4-dioxan-2-yl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine
CID 65351825
5-bromo-2-(1,4-dioxan-2-yl)-N-ethyl-6-propylpyrimidin-4-amine
CID 66306953
5-bromo-6-tert-butyl-2-(2-methylcyclopropyl)-N-propylpyrimidin-4-amine
CID 66305830
5-bromo-6-tert-butyl-N-ethyl-2-(oxolan-3-yl)pyrimidin-4-amine
CID 66307213
5-bromo-2,6-ditert-butyl-N-propylpyrimidin-4-amine
CID 66305031
2-(1,4-dioxan-2-yl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 65351632
5-bromo-6-ethyl-2-(oxolan-3-yl)-N-propylpyrimidin-4-amine
CID 66301225
5-bromo-2-(4-methylmorpholin-2-yl)-N,6-dipropylpyrimidin-4-amine
CID 79096555
5-bromo-6-tert-butyl-N-ethyl-2-(2-methylcyclopropyl)pyrimidin-4-amine
CID 66306616
5-bromo-6-tert-butyl-2-(2,2-dimethylcyclopropyl)-N-ethylpyrimidin-4-amine
CID 107925707

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-tert-butyl-2-(1,4-dioxan-2-yl)-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-tert-butyl-2-(1,4-dioxan-2-yl)-N-propylpyrimidin-4-amine (CID 66305829) is 5-bromo-6-tert-butyl-2-(1,4-dioxan-2-yl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-tert-butyl-2-(1,4-dioxan-2-yl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-tert-butyl-2-(1,4-dioxan-2-yl)-N-propylpyrimidin-4-amine is CCCNc1nc(C2COCCO2)nc(C(C)(C)C)c1Br.
What is the InChIKey of 5-bromo-6-tert-butyl-2-(1,4-dioxan-2-yl)-N-propylpyrimidin-4-amine?
The InChIKey is QDQGPFLOKBYTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3O2/c1-5-6-17-14-11(16)12(15(2,3)4)18-13(19-14)10-9-20-7-8-21-10/h10H,5-9H2,1-4H3,(H,17,18,19).
What are the key properties of 5-bromo-6-tert-butyl-2-(1,4-dioxan-2-yl)-N-propylpyrimidin-4-amine?
5-bromo-6-tert-butyl-2-(1,4-dioxan-2-yl)-N-propylpyrimidin-4-amine has a molecular weight of 358.28 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-tert-butyl-2-(1,4-dioxan-2-yl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66305829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).