1-[2-(2-aminocyclopentyl)ethyl]pyrimidin-2-one

C11H17N3O — CID 79566172

IUPAC1-[2-(2-aminocyclopentyl)ethyl]pyrimidin-2-one
SMILESNC1CCCC1CCn1cccnc1=O
InChIInChI=1S/C11H17N3O/c12-10-4-1-3-9(10)5-8-14-7-2-6-13-11(14)15/h2,6-7,9-10H,1,3-5,8,12H2
InChIKeyLLNHYUFPDGNHCX-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.76
Rot. Bonds3

About 1-[2-(2-aminocyclopentyl)ethyl]pyrimidin-2-one

1-[2-(2-aminocyclopentyl)ethyl]pyrimidin-2-one (PubChem CID 79566172) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-[2-(2-aminocyclopentyl)ethyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-(2-aminocyclopentyl)ethyl]pyrimidin-2-one
PubChem CID79566172
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-[2-(2-aminocyclopentyl)ethyl]pyrimidin-2-one
SMILESNC1CCCC1CCn1cccnc1=O
InChIInChI=1S/C11H17N3O/c12-10-4-1-3-9(10)5-8-14-7-2-6-13-11(14)15/h2,6-7,9-10H,1,3-5,8,12H2
InChIKeyLLNHYUFPDGNHCX-UHFFFAOYSA-N
XLogP0.76
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminocyclopentyl)ethyl]pyrimidin-2-one?
The IUPAC name of 1-[2-(2-aminocyclopentyl)ethyl]pyrimidin-2-one (CID 79566172) is 1-[2-(2-aminocyclopentyl)ethyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-(2-aminocyclopentyl)ethyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-(2-aminocyclopentyl)ethyl]pyrimidin-2-one is NC1CCCC1CCn1cccnc1=O.
What is the InChIKey of 1-[2-(2-aminocyclopentyl)ethyl]pyrimidin-2-one?
The InChIKey is LLNHYUFPDGNHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c12-10-4-1-3-9(10)5-8-14-7-2-6-13-11(14)15/h2,6-7,9-10H,1,3-5,8,12H2.
What are the key properties of 1-[2-(2-aminocyclopentyl)ethyl]pyrimidin-2-one?
1-[2-(2-aminocyclopentyl)ethyl]pyrimidin-2-one has a molecular weight of 207.28 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminocyclopentyl)ethyl]pyrimidin-2-one is sourced from PubChem (CID 79566172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).