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

C14H23N3O — CID 63793489

IUPAC3-[2-(cyclopentylmethylamino)ethyl]-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(CCNCC2CCCC2)c(C)n1
InChIInChI=1S/C14H23N3O/c1-11-9-14(18)17(12(2)16-11)8-7-15-10-13-5-3-4-6-13/h9,13,15H,3-8,10H2,1-2H3
InChIKeyMBOQEKYMDTYRDO-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.64
Rot. Bonds5

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

3-[2-(cyclopentylmethylamino)ethyl]-2,6-dimethylpyrimidin-4-one (PubChem CID 63793489) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-[2-(cyclopentylmethylamino)ethyl]-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(cyclopentylmethylamino)ethyl]-2,6-dimethylpyrimidin-4-one
PubChem CID63793489
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-[2-(cyclopentylmethylamino)ethyl]-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(CCNCC2CCCC2)c(C)n1
InChIInChI=1S/C14H23N3O/c1-11-9-14(18)17(12(2)16-11)8-7-15-10-13-5-3-4-6-13/h9,13,15H,3-8,10H2,1-2H3
InChIKeyMBOQEKYMDTYRDO-UHFFFAOYSA-N
XLogP1.64
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopentylmethylamino)ethyl]-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[2-(cyclopentylmethylamino)ethyl]-2,6-dimethylpyrimidin-4-one (CID 63793489) is 3-[2-(cyclopentylmethylamino)ethyl]-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[2-(cyclopentylmethylamino)ethyl]-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[2-(cyclopentylmethylamino)ethyl]-2,6-dimethylpyrimidin-4-one is Cc1cc(=O)n(CCNCC2CCCC2)c(C)n1.
What is the InChIKey of 3-[2-(cyclopentylmethylamino)ethyl]-2,6-dimethylpyrimidin-4-one?
The InChIKey is MBOQEKYMDTYRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11-9-14(18)17(12(2)16-11)8-7-15-10-13-5-3-4-6-13/h9,13,15H,3-8,10H2,1-2H3.
What are the key properties of 3-[2-(cyclopentylmethylamino)ethyl]-2,6-dimethylpyrimidin-4-one?
3-[2-(cyclopentylmethylamino)ethyl]-2,6-dimethylpyrimidin-4-one has a molecular weight of 249.36 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopentylmethylamino)ethyl]-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 63793489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).