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

C14H23N3O — CID 113448462

IUPAC3-[2-cyclopentyl-2-(methylamino)ethyl]-2,6-dimethylpyrimidin-4-one
SMILESCNC(Cn1c(C)nc(C)cc1=O)C1CCCC1
InChIInChI=1S/C14H23N3O/c1-10-8-14(18)17(11(2)16-10)9-13(15-3)12-6-4-5-7-12/h8,12-13,15H,4-7,9H2,1-3H3
InChIKeyVFKUJHPRHIFTAR-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.64
Rot. Bonds4

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

3-[2-cyclopentyl-2-(methylamino)ethyl]-2,6-dimethylpyrimidin-4-one (PubChem CID 113448462) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-[2-cyclopentyl-2-(methylamino)ethyl]-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-cyclopentyl-2-(methylamino)ethyl]-2,6-dimethylpyrimidin-4-one
PubChem CID113448462
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-[2-cyclopentyl-2-(methylamino)ethyl]-2,6-dimethylpyrimidin-4-one
SMILESCNC(Cn1c(C)nc(C)cc1=O)C1CCCC1
InChIInChI=1S/C14H23N3O/c1-10-8-14(18)17(11(2)16-10)9-13(15-3)12-6-4-5-7-12/h8,12-13,15H,4-7,9H2,1-3H3
InChIKeyVFKUJHPRHIFTAR-UHFFFAOYSA-N
XLogP1.64
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-(methylamino)ethyl]-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[2-cyclopentyl-2-(methylamino)ethyl]-2,6-dimethylpyrimidin-4-one (CID 113448462) is 3-[2-cyclopentyl-2-(methylamino)ethyl]-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[2-cyclopentyl-2-(methylamino)ethyl]-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[2-cyclopentyl-2-(methylamino)ethyl]-2,6-dimethylpyrimidin-4-one is CNC(Cn1c(C)nc(C)cc1=O)C1CCCC1.
What is the InChIKey of 3-[2-cyclopentyl-2-(methylamino)ethyl]-2,6-dimethylpyrimidin-4-one?
The InChIKey is VFKUJHPRHIFTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10-8-14(18)17(11(2)16-10)9-13(15-3)12-6-4-5-7-12/h8,12-13,15H,4-7,9H2,1-3H3.
What are the key properties of 3-[2-cyclopentyl-2-(methylamino)ethyl]-2,6-dimethylpyrimidin-4-one?
3-[2-cyclopentyl-2-(methylamino)ethyl]-2,6-dimethylpyrimidin-4-one has a molecular weight of 249.36 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyclopentyl-2-(methylamino)ethyl]-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 113448462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).