6-(2-cyclobutylethoxy)-2,5-dimethylpyrimidin-4-amine

C12H19N3O — CID 106207715

IUPAC6-(2-cyclobutylethoxy)-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(N)c(C)c(OCCC2CCC2)n1
InChIInChI=1S/C12H19N3O/c1-8-11(13)14-9(2)15-12(8)16-7-6-10-4-3-5-10/h10H,3-7H2,1-2H3,(H2,13,14,15)
InChIKeyHWAGAHVOJOBTSG-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.24
Rot. Bonds4

About 6-(2-cyclobutylethoxy)-2,5-dimethylpyrimidin-4-amine

6-(2-cyclobutylethoxy)-2,5-dimethylpyrimidin-4-amine (PubChem CID 106207715) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 6-(2-cyclobutylethoxy)-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-cyclobutylethoxy)-2,5-dimethylpyrimidin-4-amine
PubChem CID106207715
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name6-(2-cyclobutylethoxy)-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(N)c(C)c(OCCC2CCC2)n1
InChIInChI=1S/C12H19N3O/c1-8-11(13)14-9(2)15-12(8)16-7-6-10-4-3-5-10/h10H,3-7H2,1-2H3,(H2,13,14,15)
InChIKeyHWAGAHVOJOBTSG-UHFFFAOYSA-N
XLogP2.24
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclobutylethoxy)-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(2-cyclobutylethoxy)-2,5-dimethylpyrimidin-4-amine (CID 106207715) is 6-(2-cyclobutylethoxy)-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-cyclobutylethoxy)-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(2-cyclobutylethoxy)-2,5-dimethylpyrimidin-4-amine is Cc1nc(N)c(C)c(OCCC2CCC2)n1.
What is the InChIKey of 6-(2-cyclobutylethoxy)-2,5-dimethylpyrimidin-4-amine?
The InChIKey is HWAGAHVOJOBTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8-11(13)14-9(2)15-12(8)16-7-6-10-4-3-5-10/h10H,3-7H2,1-2H3,(H2,13,14,15).
What are the key properties of 6-(2-cyclobutylethoxy)-2,5-dimethylpyrimidin-4-amine?
6-(2-cyclobutylethoxy)-2,5-dimethylpyrimidin-4-amine has a molecular weight of 221.30 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclobutylethoxy)-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 106207715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).