3-[2-(cyclopentylmethylamino)ethyl]pyrimidin-4-one

C12H19N3O — CID 63795433

IUPAC3-[2-(cyclopentylmethylamino)ethyl]pyrimidin-4-one
SMILESO=c1ccncn1CCNCC1CCCC1
InChIInChI=1S/C12H19N3O/c16-12-5-6-14-10-15(12)8-7-13-9-11-3-1-2-4-11/h5-6,10-11,13H,1-4,7-9H2
InChIKeyYQOREFDADXJEEK-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.02
Rot. Bonds5

About 3-[2-(cyclopentylmethylamino)ethyl]pyrimidin-4-one

3-[2-(cyclopentylmethylamino)ethyl]pyrimidin-4-one (PubChem CID 63795433) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-[2-(cyclopentylmethylamino)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(cyclopentylmethylamino)ethyl]pyrimidin-4-one
PubChem CID63795433
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-[2-(cyclopentylmethylamino)ethyl]pyrimidin-4-one
SMILESO=c1ccncn1CCNCC1CCCC1
InChIInChI=1S/C12H19N3O/c16-12-5-6-14-10-15(12)8-7-13-9-11-3-1-2-4-11/h5-6,10-11,13H,1-4,7-9H2
InChIKeyYQOREFDADXJEEK-UHFFFAOYSA-N
XLogP1.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.02
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]pyrimidin-4-one?
The IUPAC name of 3-[2-(cyclopentylmethylamino)ethyl]pyrimidin-4-one (CID 63795433) is 3-[2-(cyclopentylmethylamino)ethyl]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(cyclopentylmethylamino)ethyl]pyrimidin-4-one?
The canonical SMILES for 3-[2-(cyclopentylmethylamino)ethyl]pyrimidin-4-one is O=c1ccncn1CCNCC1CCCC1.
What is the InChIKey of 3-[2-(cyclopentylmethylamino)ethyl]pyrimidin-4-one?
The InChIKey is YQOREFDADXJEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c16-12-5-6-14-10-15(12)8-7-13-9-11-3-1-2-4-11/h5-6,10-11,13H,1-4,7-9H2.
What are the key properties of 3-[2-(cyclopentylmethylamino)ethyl]pyrimidin-4-one?
3-[2-(cyclopentylmethylamino)ethyl]pyrimidin-4-one has a molecular weight of 221.30 g/mol, XLogP of 1.02, 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]pyrimidin-4-one is sourced from PubChem (CID 63795433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).