6-(2-aminoethyl)-4-cyclopentyl-1H-pyrimidin-2-one

C11H17N3O — CID 83848478

IUPAC6-(2-aminoethyl)-4-cyclopentyl-1H-pyrimidin-2-one
SMILESNCCc1cc(C2CCCC2)nc(=O)[nH]1
InChIInChI=1S/C11H17N3O/c12-6-5-9-7-10(14-11(15)13-9)8-3-1-2-4-8/h7-8H,1-6,12H2,(H,13,14,15)
InChIKeyDXLXYNKZSOBTLU-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.93
Rot. Bonds3

About 6-(2-aminoethyl)-4-cyclopentyl-1H-pyrimidin-2-one

6-(2-aminoethyl)-4-cyclopentyl-1H-pyrimidin-2-one (PubChem CID 83848478) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 6-(2-aminoethyl)-4-cyclopentyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(2-aminoethyl)-4-cyclopentyl-1H-pyrimidin-2-one
PubChem CID83848478
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name6-(2-aminoethyl)-4-cyclopentyl-1H-pyrimidin-2-one
SMILESNCCc1cc(C2CCCC2)nc(=O)[nH]1
InChIInChI=1S/C11H17N3O/c12-6-5-9-7-10(14-11(15)13-9)8-3-1-2-4-8/h7-8H,1-6,12H2,(H,13,14,15)
InChIKeyDXLXYNKZSOBTLU-UHFFFAOYSA-N
XLogP0.93
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-4-cyclopentyl-1H-pyrimidin-2-one?
The IUPAC name of 6-(2-aminoethyl)-4-cyclopentyl-1H-pyrimidin-2-one (CID 83848478) is 6-(2-aminoethyl)-4-cyclopentyl-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(2-aminoethyl)-4-cyclopentyl-1H-pyrimidin-2-one?
The canonical SMILES for 6-(2-aminoethyl)-4-cyclopentyl-1H-pyrimidin-2-one is NCCc1cc(C2CCCC2)nc(=O)[nH]1.
What is the InChIKey of 6-(2-aminoethyl)-4-cyclopentyl-1H-pyrimidin-2-one?
The InChIKey is DXLXYNKZSOBTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c12-6-5-9-7-10(14-11(15)13-9)8-3-1-2-4-8/h7-8H,1-6,12H2,(H,13,14,15).
What are the key properties of 6-(2-aminoethyl)-4-cyclopentyl-1H-pyrimidin-2-one?
6-(2-aminoethyl)-4-cyclopentyl-1H-pyrimidin-2-one has a molecular weight of 207.28 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-4-cyclopentyl-1H-pyrimidin-2-one is sourced from PubChem (CID 83848478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).