5-bromo-4-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1H-pyrimidin-6-one

C10H12BrN3O3 — CID 137257867

IUPAC5-bromo-4-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CCC3(C2)OCCO3)c1Br
InChIInChI=1S/C10H12BrN3O3/c11-7-8(12-6-13-9(7)15)14-2-1-10(5-14)16-3-4-17-10/h6H,1-5H2,(H,12,13,15)
InChIKeyGQXPXDRKRXYLRN-UHFFFAOYSA-N
MW302.13 g/mol
LogP0.49
Rot. Bonds1

About 5-bromo-4-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1H-pyrimidin-6-one

5-bromo-4-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1H-pyrimidin-6-one (PubChem CID 137257867) has the molecular formula C10H12BrN3O3 and a molecular weight of 302.13 g/mol. Its IUPAC name is 5-bromo-4-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1H-pyrimidin-6-one
PubChem CID137257867
Molecular FormulaC10H12BrN3O3
Molecular Weight302.13 g/mol
Exact Mass301.01
IUPAC Name5-bromo-4-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CCC3(C2)OCCO3)c1Br
InChIInChI=1S/C10H12BrN3O3/c11-7-8(12-6-13-9(7)15)14-2-1-10(5-14)16-3-4-17-10/h6H,1-5H2,(H,12,13,15)
InChIKeyGQXPXDRKRXYLRN-UHFFFAOYSA-N
XLogP0.49
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.13
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-4-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1H-pyrimidin-6-one with MolForge

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Related Compounds

5-bromo-4-(3-methoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136868272
5-bromo-4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-1H-pyrimidin-6-one
CID 136958046
5-bromo-4-(3,4-dimethoxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136967843
5-bromo-4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136998901
5-bromo-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one
CID 137015689
4-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1H-pyrimidin-6-one
CID 137263252
5-amino-4-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1H-pyrimidin-6-one
CID 137269671

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1H-pyrimidin-6-one (CID 137257867) is 5-bromo-4-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1H-pyrimidin-6-one is O=c1[nH]cnc(N2CCC3(C2)OCCO3)c1Br.
What is the InChIKey of 5-bromo-4-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1H-pyrimidin-6-one?
The InChIKey is GQXPXDRKRXYLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O3/c11-7-8(12-6-13-9(7)15)14-2-1-10(5-14)16-3-4-17-10/h6H,1-5H2,(H,12,13,15).
What are the key properties of 5-bromo-4-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1H-pyrimidin-6-one?
5-bromo-4-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1H-pyrimidin-6-one has a molecular weight of 302.13 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137257867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).