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

C13H21N3O — CID 79573341

IUPAC3-[2-(2-aminocyclopentyl)ethyl]-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(CCC2CCCC2N)c(C)n1
InChIInChI=1S/C13H21N3O/c1-9-8-13(17)16(10(2)15-9)7-6-11-4-3-5-12(11)14/h8,11-12H,3-7,14H2,1-2H3
InChIKeySMVPMMYHUCQRTB-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.38
Rot. Bonds3

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

3-[2-(2-aminocyclopentyl)ethyl]-2,6-dimethylpyrimidin-4-one (PubChem CID 79573341) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[2-(2-aminocyclopentyl)ethyl]-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(2-aminocyclopentyl)ethyl]-2,6-dimethylpyrimidin-4-one
PubChem CID79573341
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-[2-(2-aminocyclopentyl)ethyl]-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(CCC2CCCC2N)c(C)n1
InChIInChI=1S/C13H21N3O/c1-9-8-13(17)16(10(2)15-9)7-6-11-4-3-5-12(11)14/h8,11-12H,3-7,14H2,1-2H3
InChIKeySMVPMMYHUCQRTB-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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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-aminocyclopentyl)ethyl]-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[2-(2-aminocyclopentyl)ethyl]-2,6-dimethylpyrimidin-4-one (CID 79573341) is 3-[2-(2-aminocyclopentyl)ethyl]-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[2-(2-aminocyclopentyl)ethyl]-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[2-(2-aminocyclopentyl)ethyl]-2,6-dimethylpyrimidin-4-one is Cc1cc(=O)n(CCC2CCCC2N)c(C)n1.
What is the InChIKey of 3-[2-(2-aminocyclopentyl)ethyl]-2,6-dimethylpyrimidin-4-one?
The InChIKey is SMVPMMYHUCQRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-8-13(17)16(10(2)15-9)7-6-11-4-3-5-12(11)14/h8,11-12H,3-7,14H2,1-2H3.
What are the key properties of 3-[2-(2-aminocyclopentyl)ethyl]-2,6-dimethylpyrimidin-4-one?
3-[2-(2-aminocyclopentyl)ethyl]-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-(2-aminocyclopentyl)ethyl]-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 79573341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).