1-[2-(pentylamino)ethyl]pyrimidin-2-one

C11H19N3O — CID 62562234

IUPAC1-[2-(pentylamino)ethyl]pyrimidin-2-one
SMILESCCCCCNCCn1cccnc1=O
InChIInChI=1S/C11H19N3O/c1-2-3-4-6-12-8-10-14-9-5-7-13-11(14)15/h5,7,9,12H,2-4,6,8,10H2,1H3
InChIKeyVDZOAANTAOQSBF-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.02
Rot. Bonds7

About 1-[2-(pentylamino)ethyl]pyrimidin-2-one

1-[2-(pentylamino)ethyl]pyrimidin-2-one (PubChem CID 62562234) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-[2-(pentylamino)ethyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-(pentylamino)ethyl]pyrimidin-2-one
PubChem CID62562234
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-[2-(pentylamino)ethyl]pyrimidin-2-one
SMILESCCCCCNCCn1cccnc1=O
InChIInChI=1S/C11H19N3O/c1-2-3-4-6-12-8-10-14-9-5-7-13-11(14)15/h5,7,9,12H,2-4,6,8,10H2,1H3
InChIKeyVDZOAANTAOQSBF-UHFFFAOYSA-N
XLogP1.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
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 1-[2-(pentylamino)ethyl]pyrimidin-2-one?
The IUPAC name of 1-[2-(pentylamino)ethyl]pyrimidin-2-one (CID 62562234) is 1-[2-(pentylamino)ethyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-(pentylamino)ethyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-(pentylamino)ethyl]pyrimidin-2-one is CCCCCNCCn1cccnc1=O.
What is the InChIKey of 1-[2-(pentylamino)ethyl]pyrimidin-2-one?
The InChIKey is VDZOAANTAOQSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-2-3-4-6-12-8-10-14-9-5-7-13-11(14)15/h5,7,9,12H,2-4,6,8,10H2,1H3.
What are the key properties of 1-[2-(pentylamino)ethyl]pyrimidin-2-one?
1-[2-(pentylamino)ethyl]pyrimidin-2-one has a molecular weight of 209.29 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(pentylamino)ethyl]pyrimidin-2-one is sourced from PubChem (CID 62562234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).