2-(2-cyclopentyl-4,6-diethylpyrimidin-5-yl)ethanamine

C15H25N3 — CID 79219605

IUPAC2-(2-cyclopentyl-4,6-diethylpyrimidin-5-yl)ethanamine
SMILESCCc1nc(C2CCCC2)nc(CC)c1CCN
InChIInChI=1S/C15H25N3/c1-3-13-12(9-10-16)14(4-2)18-15(17-13)11-7-5-6-8-11/h11H,3-10,16H2,1-2H3
InChIKeyTYQWYOAAQZCBEJ-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.76
Rot. Bonds5

About 2-(2-cyclopentyl-4,6-diethylpyrimidin-5-yl)ethanamine

2-(2-cyclopentyl-4,6-diethylpyrimidin-5-yl)ethanamine (PubChem CID 79219605) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-(2-cyclopentyl-4,6-diethylpyrimidin-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2-cyclopentyl-4,6-diethylpyrimidin-5-yl)ethanamine
PubChem CID79219605
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-(2-cyclopentyl-4,6-diethylpyrimidin-5-yl)ethanamine
SMILESCCc1nc(C2CCCC2)nc(CC)c1CCN
InChIInChI=1S/C15H25N3/c1-3-13-12(9-10-16)14(4-2)18-15(17-13)11-7-5-6-8-11/h11H,3-10,16H2,1-2H3
InChIKeyTYQWYOAAQZCBEJ-UHFFFAOYSA-N
XLogP2.76
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentyl-4,6-diethylpyrimidin-5-yl)ethanamine?
The IUPAC name of 2-(2-cyclopentyl-4,6-diethylpyrimidin-5-yl)ethanamine (CID 79219605) is 2-(2-cyclopentyl-4,6-diethylpyrimidin-5-yl)ethanamine.
What is the SMILES notation for 2-(2-cyclopentyl-4,6-diethylpyrimidin-5-yl)ethanamine?
The canonical SMILES for 2-(2-cyclopentyl-4,6-diethylpyrimidin-5-yl)ethanamine is CCc1nc(C2CCCC2)nc(CC)c1CCN.
What is the InChIKey of 2-(2-cyclopentyl-4,6-diethylpyrimidin-5-yl)ethanamine?
The InChIKey is TYQWYOAAQZCBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-3-13-12(9-10-16)14(4-2)18-15(17-13)11-7-5-6-8-11/h11H,3-10,16H2,1-2H3.
What are the key properties of 2-(2-cyclopentyl-4,6-diethylpyrimidin-5-yl)ethanamine?
2-(2-cyclopentyl-4,6-diethylpyrimidin-5-yl)ethanamine has a molecular weight of 247.39 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentyl-4,6-diethylpyrimidin-5-yl)ethanamine is sourced from PubChem (CID 79219605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).