4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-propan-2-yl-1H-pyrimidin-6-one

C14H21N3O3 — CID 136973328

IUPAC4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2CCC3(CC2)OCCO3)cc(=O)[nH]1
InChIInChI=1S/C14H21N3O3/c1-10(2)13-15-11(9-12(18)16-13)17-5-3-14(4-6-17)19-7-8-20-14/h9-10H,3-8H2,1-2H3,(H,15,16,18)
InChIKeyDJUNXFGUYKDIKY-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.24
Rot. Bonds2

About 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-propan-2-yl-1H-pyrimidin-6-one

4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136973328) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136973328
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2CCC3(CC2)OCCO3)cc(=O)[nH]1
InChIInChI=1S/C14H21N3O3/c1-10(2)13-15-11(9-12(18)16-13)17-5-3-14(4-6-17)19-7-8-20-14/h9-10H,3-8H2,1-2H3,(H,15,16,18)
InChIKeyDJUNXFGUYKDIKY-UHFFFAOYSA-N
XLogP1.24
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-propan-2-yl-1H-pyrimidin-6-one (CID 136973328) is 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(N2CCC3(CC2)OCCO3)cc(=O)[nH]1.
What is the InChIKey of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is DJUNXFGUYKDIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10(2)13-15-11(9-12(18)16-13)17-5-3-14(4-6-17)19-7-8-20-14/h9-10H,3-8H2,1-2H3,(H,15,16,18).
What are the key properties of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 279.34 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136973328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).