5-[1-(methylamino)ethoxy]-1H-pyrimidin-2-one

C7H11N3O2 — CID 117231145

IUPAC5-[1-(methylamino)ethoxy]-1H-pyrimidin-2-one
SMILESCNC(C)Oc1cnc(=O)[nH]c1
InChIInChI=1S/C7H11N3O2/c1-5(8-2)12-6-3-9-7(11)10-4-6/h3-5,8H,1-2H3,(H,9,10,11)
InChIKeyVJSPXKTVQVUPDI-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.29
Rot. Bonds3

About 5-[1-(methylamino)ethoxy]-1H-pyrimidin-2-one

5-[1-(methylamino)ethoxy]-1H-pyrimidin-2-one (PubChem CID 117231145) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 5-[1-(methylamino)ethoxy]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-[1-(methylamino)ethoxy]-1H-pyrimidin-2-one
PubChem CID117231145
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name5-[1-(methylamino)ethoxy]-1H-pyrimidin-2-one
SMILESCNC(C)Oc1cnc(=O)[nH]c1
InChIInChI=1S/C7H11N3O2/c1-5(8-2)12-6-3-9-7(11)10-4-6/h3-5,8H,1-2H3,(H,9,10,11)
InChIKeyVJSPXKTVQVUPDI-UHFFFAOYSA-N
XLogP-0.29
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(methylamino)ethoxy]-1H-pyrimidin-2-one?
The IUPAC name of 5-[1-(methylamino)ethoxy]-1H-pyrimidin-2-one (CID 117231145) is 5-[1-(methylamino)ethoxy]-1H-pyrimidin-2-one.
What is the SMILES notation for 5-[1-(methylamino)ethoxy]-1H-pyrimidin-2-one?
The canonical SMILES for 5-[1-(methylamino)ethoxy]-1H-pyrimidin-2-one is CNC(C)Oc1cnc(=O)[nH]c1.
What is the InChIKey of 5-[1-(methylamino)ethoxy]-1H-pyrimidin-2-one?
The InChIKey is VJSPXKTVQVUPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-5(8-2)12-6-3-9-7(11)10-4-6/h3-5,8H,1-2H3,(H,9,10,11).
What are the key properties of 5-[1-(methylamino)ethoxy]-1H-pyrimidin-2-one?
5-[1-(methylamino)ethoxy]-1H-pyrimidin-2-one has a molecular weight of 169.18 g/mol, XLogP of -0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(methylamino)ethoxy]-1H-pyrimidin-2-one is sourced from PubChem (CID 117231145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).