5-(1-aminoethoxy)-1H-pyrimidin-2-one

C6H9N3O2 — CID 117231139

IUPAC5-(1-aminoethoxy)-1H-pyrimidin-2-one
SMILESCC(N)Oc1cnc(=O)[nH]c1
InChIInChI=1S/C6H9N3O2/c1-4(7)11-5-2-8-6(10)9-3-5/h2-4H,7H2,1H3,(H,8,9,10)
InChIKeyOUQZFPXZWJGSFX-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.55
Rot. Bonds2

About 5-(1-aminoethoxy)-1H-pyrimidin-2-one

5-(1-aminoethoxy)-1H-pyrimidin-2-one (PubChem CID 117231139) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 5-(1-aminoethoxy)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-(1-aminoethoxy)-1H-pyrimidin-2-one
PubChem CID117231139
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name5-(1-aminoethoxy)-1H-pyrimidin-2-one
SMILESCC(N)Oc1cnc(=O)[nH]c1
InChIInChI=1S/C6H9N3O2/c1-4(7)11-5-2-8-6(10)9-3-5/h2-4H,7H2,1H3,(H,8,9,10)
InChIKeyOUQZFPXZWJGSFX-UHFFFAOYSA-N
XLogP-0.55
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.55
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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Related Compounds

5-Methoxypyrimidin-2(1H)-one
CID 19816959
5-Ethoxypyrimidin-2-ol
CID 15565268
5-[(2-methylpropan-2-yl)oxy]-1H-pyrimidin-2-one
CID 89460216
5-propan-2-yloxy-1H-pyrimidin-2-one
CID 117231345
ethane;5-methoxy-1H-pyrimidin-2-one
CID 144154497
(5-ethoxy-1H-pyrimidin-2-ylidene)methanone
CID 176538925
2-Methyl-5-propoxy-1,2-dihydropyrimidine
CID 176962570
5-pentoxy-1H-pyrimidin-2-one
CID 53362930
5-(2-aminoethoxy)-1H-pyrimidin-2-one
CID 117229814
5-(3-aminopropoxy)-1H-pyrimidin-2-one
CID 117229902
5-(2-oxopropoxy)-1H-pyrimidin-2-one
CID 117230703
5-(aminomethoxy)-1H-pyrimidin-2-one
CID 117231127

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethoxy)-1H-pyrimidin-2-one?
The IUPAC name of 5-(1-aminoethoxy)-1H-pyrimidin-2-one (CID 117231139) is 5-(1-aminoethoxy)-1H-pyrimidin-2-one.
What is the SMILES notation for 5-(1-aminoethoxy)-1H-pyrimidin-2-one?
The canonical SMILES for 5-(1-aminoethoxy)-1H-pyrimidin-2-one is CC(N)Oc1cnc(=O)[nH]c1.
What is the InChIKey of 5-(1-aminoethoxy)-1H-pyrimidin-2-one?
The InChIKey is OUQZFPXZWJGSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-4(7)11-5-2-8-6(10)9-3-5/h2-4H,7H2,1H3,(H,8,9,10).
What are the key properties of 5-(1-aminoethoxy)-1H-pyrimidin-2-one?
5-(1-aminoethoxy)-1H-pyrimidin-2-one has a molecular weight of 155.16 g/mol, XLogP of -0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethoxy)-1H-pyrimidin-2-one is sourced from PubChem (CID 117231139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).