5-bromo-2-(2-methyloxan-2-yl)-6-propylpyrimidin-4-amine

C13H20BrN3O — CID 80681180

IUPAC5-bromo-2-(2-methyloxan-2-yl)-6-propylpyrimidin-4-amine
SMILESCCCc1nc(C2(C)CCCCO2)nc(N)c1Br
InChIInChI=1S/C13H20BrN3O/c1-3-6-9-10(14)11(15)17-12(16-9)13(2)7-4-5-8-18-13/h3-8H2,1-2H3,(H2,15,16,17)
InChIKeyHJFRHODLTQJIIF-UHFFFAOYSA-N
MW314.23 g/mol
LogP3.19
Rot. Bonds3

About 5-bromo-2-(2-methyloxan-2-yl)-6-propylpyrimidin-4-amine

5-bromo-2-(2-methyloxan-2-yl)-6-propylpyrimidin-4-amine (PubChem CID 80681180) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is 5-bromo-2-(2-methyloxan-2-yl)-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(2-methyloxan-2-yl)-6-propylpyrimidin-4-amine
PubChem CID80681180
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC Name5-bromo-2-(2-methyloxan-2-yl)-6-propylpyrimidin-4-amine
SMILESCCCc1nc(C2(C)CCCCO2)nc(N)c1Br
InChIInChI=1S/C13H20BrN3O/c1-3-6-9-10(14)11(15)17-12(16-9)13(2)7-4-5-8-18-13/h3-8H2,1-2H3,(H2,15,16,17)
InChIKeyHJFRHODLTQJIIF-UHFFFAOYSA-N
XLogP3.19
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-methyloxan-2-yl)-6-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(2-methyloxan-2-yl)-6-propylpyrimidin-4-amine (CID 80681180) is 5-bromo-2-(2-methyloxan-2-yl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(2-methyloxan-2-yl)-6-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(2-methyloxan-2-yl)-6-propylpyrimidin-4-amine is CCCc1nc(C2(C)CCCCO2)nc(N)c1Br.
What is the InChIKey of 5-bromo-2-(2-methyloxan-2-yl)-6-propylpyrimidin-4-amine?
The InChIKey is HJFRHODLTQJIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3O/c1-3-6-9-10(14)11(15)17-12(16-9)13(2)7-4-5-8-18-13/h3-8H2,1-2H3,(H2,15,16,17).
What are the key properties of 5-bromo-2-(2-methyloxan-2-yl)-6-propylpyrimidin-4-amine?
5-bromo-2-(2-methyloxan-2-yl)-6-propylpyrimidin-4-amine has a molecular weight of 314.23 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-methyloxan-2-yl)-6-propylpyrimidin-4-amine is sourced from PubChem (CID 80681180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).