3-[4-(2-methoxyethylamino)butyl]pyrimidin-4-one

C11H19N3O2 — CID 63794386

IUPAC3-[4-(2-methoxyethylamino)butyl]pyrimidin-4-one
SMILESCOCCNCCCCn1cnccc1=O
InChIInChI=1S/C11H19N3O2/c1-16-9-7-12-5-2-3-8-14-10-13-6-4-11(14)15/h4,6,10,12H,2-3,5,7-9H2,1H3
InChIKeyJSPBMDDVZSSIBI-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.26
Rot. Bonds8

About 3-[4-(2-methoxyethylamino)butyl]pyrimidin-4-one

3-[4-(2-methoxyethylamino)butyl]pyrimidin-4-one (PubChem CID 63794386) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-[4-(2-methoxyethylamino)butyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[4-(2-methoxyethylamino)butyl]pyrimidin-4-one
PubChem CID63794386
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-[4-(2-methoxyethylamino)butyl]pyrimidin-4-one
SMILESCOCCNCCCCn1cnccc1=O
InChIInChI=1S/C11H19N3O2/c1-16-9-7-12-5-2-3-8-14-10-13-6-4-11(14)15/h4,6,10,12H,2-3,5,7-9H2,1H3
InChIKeyJSPBMDDVZSSIBI-UHFFFAOYSA-N
XLogP0.26
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[4-(2-methoxyethylamino)butyl]pyrimidin-4-one?
The IUPAC name of 3-[4-(2-methoxyethylamino)butyl]pyrimidin-4-one (CID 63794386) is 3-[4-(2-methoxyethylamino)butyl]pyrimidin-4-one.
What is the SMILES notation for 3-[4-(2-methoxyethylamino)butyl]pyrimidin-4-one?
The canonical SMILES for 3-[4-(2-methoxyethylamino)butyl]pyrimidin-4-one is COCCNCCCCn1cnccc1=O.
What is the InChIKey of 3-[4-(2-methoxyethylamino)butyl]pyrimidin-4-one?
The InChIKey is JSPBMDDVZSSIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-16-9-7-12-5-2-3-8-14-10-13-6-4-11(14)15/h4,6,10,12H,2-3,5,7-9H2,1H3.
What are the key properties of 3-[4-(2-methoxyethylamino)butyl]pyrimidin-4-one?
3-[4-(2-methoxyethylamino)butyl]pyrimidin-4-one has a molecular weight of 225.29 g/mol, XLogP of 0.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyethylamino)butyl]pyrimidin-4-one is sourced from PubChem (CID 63794386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).