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

C14H19N3O3 — CID 136973332

IUPAC2-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCC3(CC2)OCCO3)nc(C2CC2)[nH]1
InChIInChI=1S/C14H19N3O3/c18-12-9-11(15-13(16-12)10-1-2-10)17-5-3-14(4-6-17)19-7-8-20-14/h9-10H,1-8H2,(H,15,16,18)
InChIKeyOWELPSJNIONFOZ-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.99
Rot. Bonds2

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

2-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one (PubChem CID 136973332) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one
PubChem CID136973332
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCC3(CC2)OCCO3)nc(C2CC2)[nH]1
InChIInChI=1S/C14H19N3O3/c18-12-9-11(15-13(16-12)10-1-2-10)17-5-3-14(4-6-17)19-7-8-20-14/h9-10H,1-8H2,(H,15,16,18)
InChIKeyOWELPSJNIONFOZ-UHFFFAOYSA-N
XLogP0.99
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one (CID 136973332) is 2-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one is O=c1cc(N2CCC3(CC2)OCCO3)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one?
The InChIKey is OWELPSJNIONFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-12-9-11(15-13(16-12)10-1-2-10)17-5-3-14(4-6-17)19-7-8-20-14/h9-10H,1-8H2,(H,15,16,18).
What are the key properties of 2-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one has a molecular weight of 277.32 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136973332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).