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

C15H23N3O3 — CID 102930437

IUPAC4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(OC2COC3(CCNCC3)C2)cc(=O)[nH]1
InChIInChI=1S/C15H23N3O3/c1-10(2)14-17-12(19)7-13(18-14)21-11-8-15(20-9-11)3-5-16-6-4-15/h7,10-11,16H,3-6,8-9H2,1-2H3,(H,17,18,19)
InChIKeyUSWGWTMJQDWQLK-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.18
Rot. Bonds3

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

4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 102930437) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID102930437
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(OC2COC3(CCNCC3)C2)cc(=O)[nH]1
InChIInChI=1S/C15H23N3O3/c1-10(2)14-17-12(19)7-13(18-14)21-11-8-15(20-9-11)3-5-16-6-4-15/h7,10-11,16H,3-6,8-9H2,1-2H3,(H,17,18,19)
InChIKeyUSWGWTMJQDWQLK-UHFFFAOYSA-N
XLogP1.18
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-2-propan-2-yl-1H-pyrimidin-6-one (CID 102930437) is 4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(OC2COC3(CCNCC3)C2)cc(=O)[nH]1.
What is the InChIKey of 4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is USWGWTMJQDWQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10(2)14-17-12(19)7-13(18-14)21-11-8-15(20-9-11)3-5-16-6-4-15/h7,10-11,16H,3-6,8-9H2,1-2H3,(H,17,18,19).
What are the key properties of 4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 293.37 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 102930437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).