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

C12H19N3O — CID 79572644

IUPAC3-[2-(2-aminocyclopentyl)ethyl]-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(CCC2CCCC2N)cn1
InChIInChI=1S/C12H19N3O/c1-9-7-12(16)15(8-14-9)6-5-10-3-2-4-11(10)13/h7-8,10-11H,2-6,13H2,1H3
InChIKeyMMFVPJOAPFCVGP-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.07
Rot. Bonds3

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

3-[2-(2-aminocyclopentyl)ethyl]-6-methylpyrimidin-4-one (PubChem CID 79572644) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-[2-(2-aminocyclopentyl)ethyl]-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(2-aminocyclopentyl)ethyl]-6-methylpyrimidin-4-one
PubChem CID79572644
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-[2-(2-aminocyclopentyl)ethyl]-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(CCC2CCCC2N)cn1
InChIInChI=1S/C12H19N3O/c1-9-7-12(16)15(8-14-9)6-5-10-3-2-4-11(10)13/h7-8,10-11H,2-6,13H2,1H3
InChIKeyMMFVPJOAPFCVGP-UHFFFAOYSA-N
XLogP1.07
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.07
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]-6-methylpyrimidin-4-one?
The IUPAC name of 3-[2-(2-aminocyclopentyl)ethyl]-6-methylpyrimidin-4-one (CID 79572644) is 3-[2-(2-aminocyclopentyl)ethyl]-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-[2-(2-aminocyclopentyl)ethyl]-6-methylpyrimidin-4-one?
The canonical SMILES for 3-[2-(2-aminocyclopentyl)ethyl]-6-methylpyrimidin-4-one is Cc1cc(=O)n(CCC2CCCC2N)cn1.
What is the InChIKey of 3-[2-(2-aminocyclopentyl)ethyl]-6-methylpyrimidin-4-one?
The InChIKey is MMFVPJOAPFCVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-7-12(16)15(8-14-9)6-5-10-3-2-4-11(10)13/h7-8,10-11H,2-6,13H2,1H3.
What are the key properties of 3-[2-(2-aminocyclopentyl)ethyl]-6-methylpyrimidin-4-one?
3-[2-(2-aminocyclopentyl)ethyl]-6-methylpyrimidin-4-one has a molecular weight of 221.30 g/mol, XLogP of 1.07, 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]-6-methylpyrimidin-4-one is sourced from PubChem (CID 79572644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).