2-(1-aminocyclopentyl)-4-tert-butyl-1H-pyrimidin-6-one

C13H21N3O — CID 135966792

IUPAC2-(1-aminocyclopentyl)-4-tert-butyl-1H-pyrimidin-6-one
SMILESCC(C)(C)c1cc(=O)[nH]c(C2(N)CCCC2)n1
InChIInChI=1S/C13H21N3O/c1-12(2,3)9-8-10(17)16-11(15-9)13(14)6-4-5-7-13/h8H,4-7,14H2,1-3H3,(H,15,16,17)
InChIKeyLTOFXYATIKLNBT-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.80
Rot. Bonds1

About 2-(1-aminocyclopentyl)-4-tert-butyl-1H-pyrimidin-6-one

2-(1-aminocyclopentyl)-4-tert-butyl-1H-pyrimidin-6-one (PubChem CID 135966792) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-4-tert-butyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-4-tert-butyl-1H-pyrimidin-6-one
PubChem CID135966792
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-(1-aminocyclopentyl)-4-tert-butyl-1H-pyrimidin-6-one
SMILESCC(C)(C)c1cc(=O)[nH]c(C2(N)CCCC2)n1
InChIInChI=1S/C13H21N3O/c1-12(2,3)9-8-10(17)16-11(15-9)13(14)6-4-5-7-13/h8H,4-7,14H2,1-3H3,(H,15,16,17)
InChIKeyLTOFXYATIKLNBT-UHFFFAOYSA-N
XLogP1.80
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(1-aminocyclopentyl)-4-tert-butyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-4-tert-butyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-aminocyclopentyl)-4-tert-butyl-1H-pyrimidin-6-one (CID 135966792) is 2-(1-aminocyclopentyl)-4-tert-butyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-aminocyclopentyl)-4-tert-butyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-aminocyclopentyl)-4-tert-butyl-1H-pyrimidin-6-one is CC(C)(C)c1cc(=O)[nH]c(C2(N)CCCC2)n1.
What is the InChIKey of 2-(1-aminocyclopentyl)-4-tert-butyl-1H-pyrimidin-6-one?
The InChIKey is LTOFXYATIKLNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-12(2,3)9-8-10(17)16-11(15-9)13(14)6-4-5-7-13/h8H,4-7,14H2,1-3H3,(H,15,16,17).
What are the key properties of 2-(1-aminocyclopentyl)-4-tert-butyl-1H-pyrimidin-6-one?
2-(1-aminocyclopentyl)-4-tert-butyl-1H-pyrimidin-6-one has a molecular weight of 235.33 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-4-tert-butyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135966792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).