3-(2-amino-2-cyclopentylethyl)-2,6-dimethylpyrimidin-4-one

C13H21N3O — CID 104747701

IUPAC3-(2-amino-2-cyclopentylethyl)-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(CC(N)C2CCCC2)c(C)n1
InChIInChI=1S/C13H21N3O/c1-9-7-13(17)16(10(2)15-9)8-12(14)11-5-3-4-6-11/h7,11-12H,3-6,8,14H2,1-2H3
InChIKeyFGGHOGOUKRDISI-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.38
Rot. Bonds3

About 3-(2-amino-2-cyclopentylethyl)-2,6-dimethylpyrimidin-4-one

3-(2-amino-2-cyclopentylethyl)-2,6-dimethylpyrimidin-4-one (PubChem CID 104747701) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(2-amino-2-cyclopentylethyl)-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-(2-amino-2-cyclopentylethyl)-2,6-dimethylpyrimidin-4-one
PubChem CID104747701
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-(2-amino-2-cyclopentylethyl)-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(CC(N)C2CCCC2)c(C)n1
InChIInChI=1S/C13H21N3O/c1-9-7-13(17)16(10(2)15-9)8-12(14)11-5-3-4-6-11/h7,11-12H,3-6,8,14H2,1-2H3
InChIKeyFGGHOGOUKRDISI-UHFFFAOYSA-N
XLogP1.38
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-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-[2-(Cyclopentylamino)ethyl]-2,6-dimethylpyrimidin-4-one
CID 55236070
2,6-Dimethyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one
CID 55236072
2-[(2-Cyclopentylethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60977019
6-Methyl-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one
CID 62562375
6-Methyl-3-[2-[(4-methylcyclohexyl)amino]ethyl]pyrimidin-4-one
CID 62563250
6-Methyl-3-[2-[(2-methylcyclohexyl)amino]ethyl]pyrimidin-4-one
CID 62563254
3-[2-(Cyclohexylmethylamino)ethyl]-6-methylpyrimidin-4-one
CID 62564451

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-cyclopentylethyl)-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-(2-amino-2-cyclopentylethyl)-2,6-dimethylpyrimidin-4-one (CID 104747701) is 3-(2-amino-2-cyclopentylethyl)-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-(2-amino-2-cyclopentylethyl)-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-(2-amino-2-cyclopentylethyl)-2,6-dimethylpyrimidin-4-one is Cc1cc(=O)n(CC(N)C2CCCC2)c(C)n1.
What is the InChIKey of 3-(2-amino-2-cyclopentylethyl)-2,6-dimethylpyrimidin-4-one?
The InChIKey is FGGHOGOUKRDISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-7-13(17)16(10(2)15-9)8-12(14)11-5-3-4-6-11/h7,11-12H,3-6,8,14H2,1-2H3.
What are the key properties of 3-(2-amino-2-cyclopentylethyl)-2,6-dimethylpyrimidin-4-one?
3-(2-amino-2-cyclopentylethyl)-2,6-dimethylpyrimidin-4-one has a molecular weight of 235.33 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-cyclopentylethyl)-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 104747701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).