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

C10H17N3O2 — CID 63793493

IUPAC3-[2-(2-ethoxyethylamino)ethyl]pyrimidin-4-one
SMILESCCOCCNCCn1cnccc1=O
InChIInChI=1S/C10H17N3O2/c1-2-15-8-6-11-5-7-13-9-12-4-3-10(13)14/h3-4,9,11H,2,5-8H2,1H3
InChIKeyDSGJSPRHMKHTSB-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.13
Rot. Bonds7

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

3-[2-(2-ethoxyethylamino)ethyl]pyrimidin-4-one (PubChem CID 63793493) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-[2-(2-ethoxyethylamino)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(2-ethoxyethylamino)ethyl]pyrimidin-4-one
PubChem CID63793493
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-[2-(2-ethoxyethylamino)ethyl]pyrimidin-4-one
SMILESCCOCCNCCn1cnccc1=O
InChIInChI=1S/C10H17N3O2/c1-2-15-8-6-11-5-7-13-9-12-4-3-10(13)14/h3-4,9,11H,2,5-8H2,1H3
InChIKeyDSGJSPRHMKHTSB-UHFFFAOYSA-N
XLogP-0.13
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.13
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-[2-(2-ethoxyethylamino)ethyl]pyrimidin-4-one?
The IUPAC name of 3-[2-(2-ethoxyethylamino)ethyl]pyrimidin-4-one (CID 63793493) is 3-[2-(2-ethoxyethylamino)ethyl]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(2-ethoxyethylamino)ethyl]pyrimidin-4-one?
The canonical SMILES for 3-[2-(2-ethoxyethylamino)ethyl]pyrimidin-4-one is CCOCCNCCn1cnccc1=O.
What is the InChIKey of 3-[2-(2-ethoxyethylamino)ethyl]pyrimidin-4-one?
The InChIKey is DSGJSPRHMKHTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-15-8-6-11-5-7-13-9-12-4-3-10(13)14/h3-4,9,11H,2,5-8H2,1H3.
What are the key properties of 3-[2-(2-ethoxyethylamino)ethyl]pyrimidin-4-one?
3-[2-(2-ethoxyethylamino)ethyl]pyrimidin-4-one has a molecular weight of 211.26 g/mol, XLogP of -0.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-ethoxyethylamino)ethyl]pyrimidin-4-one is sourced from PubChem (CID 63793493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).