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

C8H13N3O2 — CID 103482356

IUPAC3-[2-(2-aminoethoxy)ethyl]pyrimidin-4-one
SMILESNCCOCCn1cnccc1=O
InChIInChI=1S/C8H13N3O2/c9-2-5-13-6-4-11-7-10-3-1-8(11)12/h1,3,7H,2,4-6,9H2
InChIKeyZXXBJMXEXAHQKS-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.78
Rot. Bonds5

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

3-[2-(2-aminoethoxy)ethyl]pyrimidin-4-one (PubChem CID 103482356) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-[2-(2-aminoethoxy)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(2-aminoethoxy)ethyl]pyrimidin-4-one
PubChem CID103482356
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name3-[2-(2-aminoethoxy)ethyl]pyrimidin-4-one
SMILESNCCOCCn1cnccc1=O
InChIInChI=1S/C8H13N3O2/c9-2-5-13-6-4-11-7-10-3-1-8(11)12/h1,3,7H,2,4-6,9H2
InChIKeyZXXBJMXEXAHQKS-UHFFFAOYSA-N
XLogP-0.78
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.78
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-aminoethoxy)ethyl]pyrimidin-4-one?
The IUPAC name of 3-[2-(2-aminoethoxy)ethyl]pyrimidin-4-one (CID 103482356) is 3-[2-(2-aminoethoxy)ethyl]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(2-aminoethoxy)ethyl]pyrimidin-4-one?
The canonical SMILES for 3-[2-(2-aminoethoxy)ethyl]pyrimidin-4-one is NCCOCCn1cnccc1=O.
What is the InChIKey of 3-[2-(2-aminoethoxy)ethyl]pyrimidin-4-one?
The InChIKey is ZXXBJMXEXAHQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c9-2-5-13-6-4-11-7-10-3-1-8(11)12/h1,3,7H,2,4-6,9H2.
What are the key properties of 3-[2-(2-aminoethoxy)ethyl]pyrimidin-4-one?
3-[2-(2-aminoethoxy)ethyl]pyrimidin-4-one has a molecular weight of 183.21 g/mol, XLogP of -0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminoethoxy)ethyl]pyrimidin-4-one is sourced from PubChem (CID 103482356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).