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

C9H15N3O2 — CID 63795261

IUPAC3-[2-(2-methoxyethylamino)ethyl]pyrimidin-4-one
SMILESCOCCNCCn1cnccc1=O
InChIInChI=1S/C9H15N3O2/c1-14-7-5-10-4-6-12-8-11-3-2-9(12)13/h2-3,8,10H,4-7H2,1H3
InChIKeyBBCDYIWBYJEJOA-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.52
Rot. Bonds6

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

3-[2-(2-methoxyethylamino)ethyl]pyrimidin-4-one (PubChem CID 63795261) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-[2-(2-methoxyethylamino)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(2-methoxyethylamino)ethyl]pyrimidin-4-one
PubChem CID63795261
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name3-[2-(2-methoxyethylamino)ethyl]pyrimidin-4-one
SMILESCOCCNCCn1cnccc1=O
InChIInChI=1S/C9H15N3O2/c1-14-7-5-10-4-6-12-8-11-3-2-9(12)13/h2-3,8,10H,4-7H2,1H3
InChIKeyBBCDYIWBYJEJOA-UHFFFAOYSA-N
XLogP-0.52
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.52
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-methoxyethylamino)ethyl]pyrimidin-4-one?
The IUPAC name of 3-[2-(2-methoxyethylamino)ethyl]pyrimidin-4-one (CID 63795261) is 3-[2-(2-methoxyethylamino)ethyl]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(2-methoxyethylamino)ethyl]pyrimidin-4-one?
The canonical SMILES for 3-[2-(2-methoxyethylamino)ethyl]pyrimidin-4-one is COCCNCCn1cnccc1=O.
What is the InChIKey of 3-[2-(2-methoxyethylamino)ethyl]pyrimidin-4-one?
The InChIKey is BBCDYIWBYJEJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-14-7-5-10-4-6-12-8-11-3-2-9(12)13/h2-3,8,10H,4-7H2,1H3.
What are the key properties of 3-[2-(2-methoxyethylamino)ethyl]pyrimidin-4-one?
3-[2-(2-methoxyethylamino)ethyl]pyrimidin-4-one has a molecular weight of 197.24 g/mol, XLogP of -0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethylamino)ethyl]pyrimidin-4-one is sourced from PubChem (CID 63795261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).