6-(2-cyclobutylethoxy)-N-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine

C16H27N3O — CID 106207751

IUPAC6-(2-cyclobutylethoxy)-N-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(C(C)C)nc(OCCC2CCC2)c1C
InChIInChI=1S/C16H27N3O/c1-5-17-15-12(4)16(19-14(18-15)11(2)3)20-10-9-13-7-6-8-13/h11,13H,5-10H2,1-4H3,(H,17,18,19)
InChIKeyVXWCSPPTXGOVJZ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.91
Rot. Bonds7

About 6-(2-cyclobutylethoxy)-N-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine

6-(2-cyclobutylethoxy)-N-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 106207751) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 6-(2-cyclobutylethoxy)-N-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-cyclobutylethoxy)-N-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID106207751
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name6-(2-cyclobutylethoxy)-N-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(C(C)C)nc(OCCC2CCC2)c1C
InChIInChI=1S/C16H27N3O/c1-5-17-15-12(4)16(19-14(18-15)11(2)3)20-10-9-13-7-6-8-13/h11,13H,5-10H2,1-4H3,(H,17,18,19)
InChIKeyVXWCSPPTXGOVJZ-UHFFFAOYSA-N
XLogP3.91
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.91
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-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(2-cyclobutylethoxy)-N-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine (CID 106207751) is 6-(2-cyclobutylethoxy)-N-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-cyclobutylethoxy)-N-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(2-cyclobutylethoxy)-N-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine is CCNc1nc(C(C)C)nc(OCCC2CCC2)c1C.
What is the InChIKey of 6-(2-cyclobutylethoxy)-N-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is VXWCSPPTXGOVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-17-15-12(4)16(19-14(18-15)11(2)3)20-10-9-13-7-6-8-13/h11,13H,5-10H2,1-4H3,(H,17,18,19).
What are the key properties of 6-(2-cyclobutylethoxy)-N-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine?
6-(2-cyclobutylethoxy)-N-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 277.41 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclobutylethoxy)-N-ethyl-5-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 106207751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).