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

C13H20BrN3O2 — CID 66306953

IUPAC5-bromo-2-(1,4-dioxan-2-yl)-N-ethyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(C2COCCO2)nc(NCC)c1Br
InChIInChI=1S/C13H20BrN3O2/c1-3-5-9-11(14)13(15-4-2)17-12(16-9)10-8-18-6-7-19-10/h10H,3-8H2,1-2H3,(H,15,16,17)
InChIKeySYVQMGNYQSIMKA-UHFFFAOYSA-N
MW330.23 g/mol
LogP2.71
Rot. Bonds5

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

5-bromo-2-(1,4-dioxan-2-yl)-N-ethyl-6-propylpyrimidin-4-amine (PubChem CID 66306953) has the molecular formula C13H20BrN3O2 and a molecular weight of 330.23 g/mol. Its IUPAC name is 5-bromo-2-(1,4-dioxan-2-yl)-N-ethyl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(1,4-dioxan-2-yl)-N-ethyl-6-propylpyrimidin-4-amine
PubChem CID66306953
Molecular FormulaC13H20BrN3O2
Molecular Weight330.23 g/mol
Exact Mass329.07
IUPAC Name5-bromo-2-(1,4-dioxan-2-yl)-N-ethyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(C2COCCO2)nc(NCC)c1Br
InChIInChI=1S/C13H20BrN3O2/c1-3-5-9-11(14)13(15-4-2)17-12(16-9)10-8-18-6-7-19-10/h10H,3-8H2,1-2H3,(H,15,16,17)
InChIKeySYVQMGNYQSIMKA-UHFFFAOYSA-N
XLogP2.71
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 52.71
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-propylpyrimidin-4-amine
CID 66305829
5-bromo-2-(4-methylmorpholin-2-yl)-N,6-dipropylpyrimidin-4-amine
CID 79096555
5-bromo-2-cyclooctyl-N-ethyl-6-propylpyrimidin-4-amine
CID 80610588
5-bromo-6-tert-butyl-2-(1,4-dioxan-2-yl)-N-methylpyrimidin-4-amine
CID 66305819
5-bromo-N-ethyl-2-(3-methylcyclopentyl)-6-propylpyrimidin-4-amine
CID 66305161
2-(1,4-dioxan-2-yl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine
CID 65351825
4-(1,4-dioxan-2-yl)-6-propyl-1,3,5-triazin-2-amine
CID 65356930
5-bromo-6-ethyl-2-(oxolan-3-yl)-N-propylpyrimidin-4-amine
CID 66301225
2-(1,4-dioxan-2-yl)-6-propylpyrimidin-4-amine
CID 65352118
5-bromo-N-ethyl-6-methyl-2-(oxan-3-yl)pyrimidin-4-amine
CID 66307264
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-(1,4-dioxan-2-yl)-N-ethyl-6-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(1,4-dioxan-2-yl)-N-ethyl-6-propylpyrimidin-4-amine (CID 66306953) is 5-bromo-2-(1,4-dioxan-2-yl)-N-ethyl-6-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(1,4-dioxan-2-yl)-N-ethyl-6-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(1,4-dioxan-2-yl)-N-ethyl-6-propylpyrimidin-4-amine is CCCc1nc(C2COCCO2)nc(NCC)c1Br.
What is the InChIKey of 5-bromo-2-(1,4-dioxan-2-yl)-N-ethyl-6-propylpyrimidin-4-amine?
The InChIKey is SYVQMGNYQSIMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O2/c1-3-5-9-11(14)13(15-4-2)17-12(16-9)10-8-18-6-7-19-10/h10H,3-8H2,1-2H3,(H,15,16,17).
What are the key properties of 5-bromo-2-(1,4-dioxan-2-yl)-N-ethyl-6-propylpyrimidin-4-amine?
5-bromo-2-(1,4-dioxan-2-yl)-N-ethyl-6-propylpyrimidin-4-amine has a molecular weight of 330.23 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1,4-dioxan-2-yl)-N-ethyl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 66306953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).