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

C12H19N3O — CID 83849691

IUPAC6-(2-aminopropyl)-4-cyclopentyl-1H-pyrimidin-2-one
SMILESCC(N)Cc1cc(C2CCCC2)nc(=O)[nH]1
InChIInChI=1S/C12H19N3O/c1-8(13)6-10-7-11(15-12(16)14-10)9-4-2-3-5-9/h7-9H,2-6,13H2,1H3,(H,14,15,16)
InChIKeyKLDVRVINTTUGPL-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.32
Rot. Bonds3

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

6-(2-aminopropyl)-4-cyclopentyl-1H-pyrimidin-2-one (PubChem CID 83849691) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 6-(2-aminopropyl)-4-cyclopentyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(2-aminopropyl)-4-cyclopentyl-1H-pyrimidin-2-one
PubChem CID83849691
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name6-(2-aminopropyl)-4-cyclopentyl-1H-pyrimidin-2-one
SMILESCC(N)Cc1cc(C2CCCC2)nc(=O)[nH]1
InChIInChI=1S/C12H19N3O/c1-8(13)6-10-7-11(15-12(16)14-10)9-4-2-3-5-9/h7-9H,2-6,13H2,1H3,(H,14,15,16)
InChIKeyKLDVRVINTTUGPL-UHFFFAOYSA-N
XLogP1.32
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopropyl)-4-cyclopentyl-1H-pyrimidin-2-one?
The IUPAC name of 6-(2-aminopropyl)-4-cyclopentyl-1H-pyrimidin-2-one (CID 83849691) is 6-(2-aminopropyl)-4-cyclopentyl-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(2-aminopropyl)-4-cyclopentyl-1H-pyrimidin-2-one?
The canonical SMILES for 6-(2-aminopropyl)-4-cyclopentyl-1H-pyrimidin-2-one is CC(N)Cc1cc(C2CCCC2)nc(=O)[nH]1.
What is the InChIKey of 6-(2-aminopropyl)-4-cyclopentyl-1H-pyrimidin-2-one?
The InChIKey is KLDVRVINTTUGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8(13)6-10-7-11(15-12(16)14-10)9-4-2-3-5-9/h7-9H,2-6,13H2,1H3,(H,14,15,16).
What are the key properties of 6-(2-aminopropyl)-4-cyclopentyl-1H-pyrimidin-2-one?
6-(2-aminopropyl)-4-cyclopentyl-1H-pyrimidin-2-one has a molecular weight of 221.30 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopropyl)-4-cyclopentyl-1H-pyrimidin-2-one is sourced from PubChem (CID 83849691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).