2-cyclopropyl-4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-1H-pyrimidin-6-one

C14H19N3O3 — CID 136973336

IUPAC2-cyclopropyl-4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCCC3(C2)OCCO3)nc(C2CC2)[nH]1
InChIInChI=1S/C14H19N3O3/c18-12-8-11(15-13(16-12)10-2-3-10)17-5-1-4-14(9-17)19-6-7-20-14/h8,10H,1-7,9H2,(H,15,16,18)
InChIKeyPGYINFYFVCAECY-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.99
Rot. Bonds2

About 2-cyclopropyl-4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-1H-pyrimidin-6-one

2-cyclopropyl-4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-1H-pyrimidin-6-one (PubChem CID 136973336) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-cyclopropyl-4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-1H-pyrimidin-6-one
PubChem CID136973336
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-cyclopropyl-4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(N2CCCC3(C2)OCCO3)nc(C2CC2)[nH]1
InChIInChI=1S/C14H19N3O3/c18-12-8-11(15-13(16-12)10-2-3-10)17-5-1-4-14(9-17)19-6-7-20-14/h8,10H,1-7,9H2,(H,15,16,18)
InChIKeyPGYINFYFVCAECY-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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Related Compounds

2-cyclopropyl-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702377
2-cyclopropyl-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702382
4-(3-methoxypiperidin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136702385
2-cyclopropyl-4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136713905
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-1H-pyrimidin-6-one
CID 136958018
4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-methyl-1H-pyrimidin-6-one
CID 136958045
4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-1H-pyrimidin-6-one
CID 136958047
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973328
2-cyclopropyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one
CID 136973332
4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136973333
4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136973334
2-propan-2-yl-4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 137009417

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-1H-pyrimidin-6-one (CID 136973336) is 2-cyclopropyl-4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-1H-pyrimidin-6-one is O=c1cc(N2CCCC3(C2)OCCO3)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-1H-pyrimidin-6-one?
The InChIKey is PGYINFYFVCAECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-12-8-11(15-13(16-12)10-2-3-10)17-5-1-4-14(9-17)19-6-7-20-14/h8,10H,1-7,9H2,(H,15,16,18).
What are the key properties of 2-cyclopropyl-4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(1,4-dioxa-9-azaspiro[4.5]decan-9-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-9-azaspiro[4.5]decan-9-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136973336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).