6-(2-cyclobutylethoxy)-N,5-dipropylpyrimidin-4-amine

C16H27N3O — CID 106207776

IUPAC6-(2-cyclobutylethoxy)-N,5-dipropylpyrimidin-4-amine
SMILESCCCNc1ncnc(OCCC2CCC2)c1CCC
InChIInChI=1S/C16H27N3O/c1-3-6-14-15(17-10-4-2)18-12-19-16(14)20-11-9-13-7-5-8-13/h12-13H,3-11H2,1-2H3,(H,17,18,19)
InChIKeyOTGUAKMDTUJYDW-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.82
Rot. Bonds9

About 6-(2-cyclobutylethoxy)-N,5-dipropylpyrimidin-4-amine

6-(2-cyclobutylethoxy)-N,5-dipropylpyrimidin-4-amine (PubChem CID 106207776) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 6-(2-cyclobutylethoxy)-N,5-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-cyclobutylethoxy)-N,5-dipropylpyrimidin-4-amine
PubChem CID106207776
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name6-(2-cyclobutylethoxy)-N,5-dipropylpyrimidin-4-amine
SMILESCCCNc1ncnc(OCCC2CCC2)c1CCC
InChIInChI=1S/C16H27N3O/c1-3-6-14-15(17-10-4-2)18-12-19-16(14)20-11-9-13-7-5-8-13/h12-13H,3-11H2,1-2H3,(H,17,18,19)
InChIKeyOTGUAKMDTUJYDW-UHFFFAOYSA-N
XLogP3.82
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclobutylethoxy)-N,5-dipropylpyrimidin-4-amine?
The IUPAC name of 6-(2-cyclobutylethoxy)-N,5-dipropylpyrimidin-4-amine (CID 106207776) is 6-(2-cyclobutylethoxy)-N,5-dipropylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-cyclobutylethoxy)-N,5-dipropylpyrimidin-4-amine?
The canonical SMILES for 6-(2-cyclobutylethoxy)-N,5-dipropylpyrimidin-4-amine is CCCNc1ncnc(OCCC2CCC2)c1CCC.
What is the InChIKey of 6-(2-cyclobutylethoxy)-N,5-dipropylpyrimidin-4-amine?
The InChIKey is OTGUAKMDTUJYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-6-14-15(17-10-4-2)18-12-19-16(14)20-11-9-13-7-5-8-13/h12-13H,3-11H2,1-2H3,(H,17,18,19).
What are the key properties of 6-(2-cyclobutylethoxy)-N,5-dipropylpyrimidin-4-amine?
6-(2-cyclobutylethoxy)-N,5-dipropylpyrimidin-4-amine has a molecular weight of 277.41 g/mol, XLogP of 3.82, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclobutylethoxy)-N,5-dipropylpyrimidin-4-amine is sourced from PubChem (CID 106207776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).