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

C12H19N3O — CID 62563804

IUPAC1-[2-(cyclopentylmethylamino)ethyl]pyrimidin-2-one
SMILESO=c1ncccn1CCNCC1CCCC1
InChIInChI=1S/C12H19N3O/c16-12-14-6-3-8-15(12)9-7-13-10-11-4-1-2-5-11/h3,6,8,11,13H,1-2,4-5,7,9-10H2
InChIKeyRYVBNZUITVFKLR-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.02
Rot. Bonds5

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

1-[2-(cyclopentylmethylamino)ethyl]pyrimidin-2-one (PubChem CID 62563804) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[2-(cyclopentylmethylamino)ethyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-(cyclopentylmethylamino)ethyl]pyrimidin-2-one
PubChem CID62563804
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-[2-(cyclopentylmethylamino)ethyl]pyrimidin-2-one
SMILESO=c1ncccn1CCNCC1CCCC1
InChIInChI=1S/C12H19N3O/c16-12-14-6-3-8-15(12)9-7-13-10-11-4-1-2-5-11/h3,6,8,11,13H,1-2,4-5,7,9-10H2
InChIKeyRYVBNZUITVFKLR-UHFFFAOYSA-N
XLogP1.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-(cyclopentylmethylamino)ethyl]pyrimidin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

N-(cyclohexylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 39892134
1-[2-(Aminomethyl)cyclopentyl]pyrimidin-2-one
CID 43428533
1-[2-(Cyclohexylmethylamino)ethyl]pyrimidin-2-one
CID 55134263
1-(Piperidin-4-ylmethyl)pyrimidin-2-one
CID 61686615
1-(2-Piperidin-3-ylethyl)pyrimidin-2-one
CID 62355658
1-[2-[(4-Methylcyclohexyl)amino]ethyl]pyrimidin-2-one
CID 62562052
1-[2-(5-Methylhexan-2-ylamino)ethyl]pyrimidin-2-one
CID 62562055
1-[2-(Pentylamino)ethyl]pyrimidin-2-one
CID 62562234
1-[2-(Hexylamino)ethyl]pyrimidin-2-one
CID 62562235
1-[2-[(2-Methylcyclohexyl)amino]ethyl]pyrimidin-2-one
CID 62562404
1-[2-(Cyclopentylamino)ethyl]pyrimidin-2-one
CID 62562767
1-[2-(3-Methylbutylamino)ethyl]pyrimidin-2-one
CID 62563123

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopentylmethylamino)ethyl]pyrimidin-2-one?
The IUPAC name of 1-[2-(cyclopentylmethylamino)ethyl]pyrimidin-2-one (CID 62563804) is 1-[2-(cyclopentylmethylamino)ethyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-(cyclopentylmethylamino)ethyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-(cyclopentylmethylamino)ethyl]pyrimidin-2-one is O=c1ncccn1CCNCC1CCCC1.
What is the InChIKey of 1-[2-(cyclopentylmethylamino)ethyl]pyrimidin-2-one?
The InChIKey is RYVBNZUITVFKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c16-12-14-6-3-8-15(12)9-7-13-10-11-4-1-2-5-11/h3,6,8,11,13H,1-2,4-5,7,9-10H2.
What are the key properties of 1-[2-(cyclopentylmethylamino)ethyl]pyrimidin-2-one?
1-[2-(cyclopentylmethylamino)ethyl]pyrimidin-2-one has a molecular weight of 221.30 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopentylmethylamino)ethyl]pyrimidin-2-one is sourced from PubChem (CID 62563804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).