2-ethyl-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one

C14H21N3O3 — CID 102930503

IUPAC2-ethyl-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one
SMILESCCc1nc(OC2COC3(CCNCC3)C2)cc(=O)[nH]1
InChIInChI=1S/C14H21N3O3/c1-2-11-16-12(18)7-13(17-11)20-10-8-14(19-9-10)3-5-15-6-4-14/h7,10,15H,2-6,8-9H2,1H3,(H,16,17,18)
InChIKeyBDSSJSHYEHYYQE-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.62
Rot. Bonds3

About 2-ethyl-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one

2-ethyl-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one (PubChem CID 102930503) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-ethyl-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one
PubChem CID102930503
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-ethyl-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one
SMILESCCc1nc(OC2COC3(CCNCC3)C2)cc(=O)[nH]1
InChIInChI=1S/C14H21N3O3/c1-2-11-16-12(18)7-13(17-11)20-10-8-14(19-9-10)3-5-15-6-4-14/h7,10,15H,2-6,8-9H2,1H3,(H,16,17,18)
InChIKeyBDSSJSHYEHYYQE-UHFFFAOYSA-N
XLogP0.62
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one (CID 102930503) is 2-ethyl-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one is CCc1nc(OC2COC3(CCNCC3)C2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one?
The InChIKey is BDSSJSHYEHYYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-11-16-12(18)7-13(17-11)20-10-8-14(19-9-10)3-5-15-6-4-14/h7,10,15H,2-6,8-9H2,1H3,(H,16,17,18).
What are the key properties of 2-ethyl-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one?
2-ethyl-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one has a molecular weight of 279.34 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 102930503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).