1-(4-cyclopentylpyrimidin-2-yl)-N,N-diethylpyrrolidin-3-amine

C17H28N4 — CID 56872162

IUPAC1-(4-cyclopentylpyrimidin-2-yl)-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(c2nccc(C3CCCC3)n2)C1
InChIInChI=1S/C17H28N4/c1-3-20(4-2)15-10-12-21(13-15)17-18-11-9-16(19-17)14-7-5-6-8-14/h9,11,14-15H,3-8,10,12-13H2,1-2H3
InChIKeyCRFCIENAKDPJSL-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.05
Rot. Bonds5

About 1-(4-cyclopentylpyrimidin-2-yl)-N,N-diethylpyrrolidin-3-amine

1-(4-cyclopentylpyrimidin-2-yl)-N,N-diethylpyrrolidin-3-amine (PubChem CID 56872162) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-(4-cyclopentylpyrimidin-2-yl)-N,N-diethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(4-cyclopentylpyrimidin-2-yl)-N,N-diethylpyrrolidin-3-amine
PubChem CID56872162
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name1-(4-cyclopentylpyrimidin-2-yl)-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(c2nccc(C3CCCC3)n2)C1
InChIInChI=1S/C17H28N4/c1-3-20(4-2)15-10-12-21(13-15)17-18-11-9-16(19-17)14-7-5-6-8-14/h9,11,14-15H,3-8,10,12-13H2,1-2H3
InChIKeyCRFCIENAKDPJSL-UHFFFAOYSA-N
XLogP3.05
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylpyrimidin-2-yl)-N,N-diethylpyrrolidin-3-amine?
The IUPAC name of 1-(4-cyclopentylpyrimidin-2-yl)-N,N-diethylpyrrolidin-3-amine (CID 56872162) is 1-(4-cyclopentylpyrimidin-2-yl)-N,N-diethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(4-cyclopentylpyrimidin-2-yl)-N,N-diethylpyrrolidin-3-amine?
The canonical SMILES for 1-(4-cyclopentylpyrimidin-2-yl)-N,N-diethylpyrrolidin-3-amine is CCN(CC)C1CCN(c2nccc(C3CCCC3)n2)C1.
What is the InChIKey of 1-(4-cyclopentylpyrimidin-2-yl)-N,N-diethylpyrrolidin-3-amine?
The InChIKey is CRFCIENAKDPJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-3-20(4-2)15-10-12-21(13-15)17-18-11-9-16(19-17)14-7-5-6-8-14/h9,11,14-15H,3-8,10,12-13H2,1-2H3.
What are the key properties of 1-(4-cyclopentylpyrimidin-2-yl)-N,N-diethylpyrrolidin-3-amine?
1-(4-cyclopentylpyrimidin-2-yl)-N,N-diethylpyrrolidin-3-amine has a molecular weight of 288.44 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylpyrimidin-2-yl)-N,N-diethylpyrrolidin-3-amine is sourced from PubChem (CID 56872162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).