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

C12H17N3O3 — CID 136958045

IUPAC4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCCC3(C2)OCCO3)cc(=O)[nH]1
InChIInChI=1S/C12H17N3O3/c1-9-13-10(7-11(16)14-9)15-4-2-3-12(8-15)17-5-6-18-12/h7H,2-6,8H2,1H3,(H,13,14,16)
InChIKeyOSYCGNSHNMRQGR-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.42
Rot. Bonds1

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

4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-methyl-1H-pyrimidin-6-one (PubChem CID 136958045) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-methyl-1H-pyrimidin-6-one
PubChem CID136958045
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCCC3(C2)OCCO3)cc(=O)[nH]1
InChIInChI=1S/C12H17N3O3/c1-9-13-10(7-11(16)14-9)15-4-2-3-12(8-15)17-5-6-18-12/h7H,2-6,8H2,1H3,(H,13,14,16)
InChIKeyOSYCGNSHNMRQGR-UHFFFAOYSA-N
XLogP0.42
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-methyl-1H-pyrimidin-6-one with MolForge

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Launch Full Analysis

Related Compounds

4-(3-methoxypiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136702380
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136713906
2-methyl-4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957706
4-(3-ethoxypiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136957712
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)-1H-pyrimidin-6-one
CID 136958047
4-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136973313
4-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136973314
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

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-methyl-1H-pyrimidin-6-one (CID 136958045) is 4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-methyl-1H-pyrimidin-6-one is Cc1nc(N2CCCC3(C2)OCCO3)cc(=O)[nH]1.
What is the InChIKey of 4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is OSYCGNSHNMRQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-9-13-10(7-11(16)14-9)15-4-2-3-12(8-15)17-5-6-18-12/h7H,2-6,8H2,1H3,(H,13,14,16).
What are the key properties of 4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-methyl-1H-pyrimidin-6-one?
4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 251.29 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136958045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).