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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Related Compounds

5-bromo-N-methyl-2-(2-methyloxan-2-yl)-6-propylpyrimidin-4-amine
CID 80681256
6-ethyl-5-iodo-2-(2-methyloxan-2-yl)pyrimidin-4-amine
CID 80680945
5-bromo-6-cyclopropyl-2-(2-methyloxan-2-yl)pyrimidin-4-amine
CID 80681182
5-bromo-2-(2-methyloxan-2-yl)-6-phenylpyrimidin-4-amine
CID 80683733
5-iodo-2-(2-methyloxan-2-yl)-N,6-dipropylpyrimidin-4-amine
CID 80683736
N-[2-[4,6-dimethyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]ethyl]propan-1-amine
CID 80685788
2-(2-methyloxan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 80681411
4-(2-methyloxan-2-yl)-1,3,5-triazin-2-amine
CID 80681823
5-bromo-2-methyl-6-propylpyrimidin-4-amine
CID 66307126
(1R)-1-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565487
4-chloro-5-ethyl-6-methyl-2-(2-methyloxan-2-yl)pyrimidine
CID 80690391
2-(2-methyloxolan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190424

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).