3-[2-cyclopentyl-2-(ethylamino)ethyl]-2,6-dimethylpyrimidin-4-one

C15H25N3O — CID 104747708

IUPAC3-[2-cyclopentyl-2-(ethylamino)ethyl]-2,6-dimethylpyrimidin-4-one
SMILESCCNC(Cn1c(C)nc(C)cc1=O)C1CCCC1
InChIInChI=1S/C15H25N3O/c1-4-16-14(13-7-5-6-8-13)10-18-12(3)17-11(2)9-15(18)19/h9,13-14,16H,4-8,10H2,1-3H3
InChIKeyJAADAXFRZAVEDH-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.03
Rot. Bonds5

About 3-[2-cyclopentyl-2-(ethylamino)ethyl]-2,6-dimethylpyrimidin-4-one

3-[2-cyclopentyl-2-(ethylamino)ethyl]-2,6-dimethylpyrimidin-4-one (PubChem CID 104747708) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[2-cyclopentyl-2-(ethylamino)ethyl]-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-cyclopentyl-2-(ethylamino)ethyl]-2,6-dimethylpyrimidin-4-one
PubChem CID104747708
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-[2-cyclopentyl-2-(ethylamino)ethyl]-2,6-dimethylpyrimidin-4-one
SMILESCCNC(Cn1c(C)nc(C)cc1=O)C1CCCC1
InChIInChI=1S/C15H25N3O/c1-4-16-14(13-7-5-6-8-13)10-18-12(3)17-11(2)9-15(18)19/h9,13-14,16H,4-8,10H2,1-3H3
InChIKeyJAADAXFRZAVEDH-UHFFFAOYSA-N
XLogP2.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-cyclopentyl-2-(ethylamino)ethyl]-2,6-dimethylpyrimidin-4-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

2-isopropyl-6-[(2-methylpiperidino)methyl]-4(3H)-pyrimidinone
CID 136046574
2-isopropyl-6-[(4-methylpiperidino)methyl]-4(3H)-pyrimidinone
CID 136046576
6-[(Azocan-1-YL)methyl]-2-(propan-2-YL)-3,4-dihydropyrimidin-4-one
CID 136046579
2-[(3,5-Dimethylpiperidino)methyl]-6-methyl-4-pyrimidinol
CID 135485286
N-[3-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)butyl]acetamide
CID 137301598
2-methyl-N-[3-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)butyl]propanamide
CID 137316163
2-(3,3-difluorocyclohexyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 137004310
2-isopropyl-6-[(3-methylpiperidino)methyl]-4(3H)-pyrimidinone
CID 136046575
2-cyclopentyl-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide
CID 168112673
6-Methyl-3-[2-(4-methylpentylamino)ethyl]pyrimidin-4-one
CID 55088274
2-[[(2-Methylcyclopentyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 55170506
3-[4-(Ethylamino)pentyl]-2,6-dimethylpyrimidin-4-one
CID 55236065

Frequently Asked Questions

What is the IUPAC name of 3-[2-cyclopentyl-2-(ethylamino)ethyl]-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[2-cyclopentyl-2-(ethylamino)ethyl]-2,6-dimethylpyrimidin-4-one (CID 104747708) is 3-[2-cyclopentyl-2-(ethylamino)ethyl]-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[2-cyclopentyl-2-(ethylamino)ethyl]-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[2-cyclopentyl-2-(ethylamino)ethyl]-2,6-dimethylpyrimidin-4-one is CCNC(Cn1c(C)nc(C)cc1=O)C1CCCC1.
What is the InChIKey of 3-[2-cyclopentyl-2-(ethylamino)ethyl]-2,6-dimethylpyrimidin-4-one?
The InChIKey is JAADAXFRZAVEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-16-14(13-7-5-6-8-13)10-18-12(3)17-11(2)9-15(18)19/h9,13-14,16H,4-8,10H2,1-3H3.
What are the key properties of 3-[2-cyclopentyl-2-(ethylamino)ethyl]-2,6-dimethylpyrimidin-4-one?
3-[2-cyclopentyl-2-(ethylamino)ethyl]-2,6-dimethylpyrimidin-4-one has a molecular weight of 263.38 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyclopentyl-2-(ethylamino)ethyl]-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 104747708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).