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

C11H16N4O3 — CID 136973331

IUPAC5-amino-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one
SMILESNc1c(N2CCC3(CC2)OCCO3)nc[nH]c1=O
InChIInChI=1S/C11H16N4O3/c12-8-9(13-7-14-10(8)16)15-3-1-11(2-4-15)17-5-6-18-11/h7H,1-6,12H2,(H,13,14,16)
InChIKeyBDDYLNZSDZUFBC-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.30
Rot. Bonds1

About 5-amino-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one

5-amino-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one (PubChem CID 136973331) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-amino-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one
PubChem CID136973331
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name5-amino-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one
SMILESNc1c(N2CCC3(CC2)OCCO3)nc[nH]c1=O
InChIInChI=1S/C11H16N4O3/c12-8-9(13-7-14-10(8)16)15-3-1-11(2-4-15)17-5-6-18-11/h7H,1-6,12H2,(H,13,14,16)
InChIKeyBDDYLNZSDZUFBC-UHFFFAOYSA-N
XLogP-0.30
TPSA93.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-amino-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-amino-9-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-7,8-dihydro-1H-purin-6-one
CID 136467667
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-5-iodo-1H-pyrimidin-6-one
CID 136954301
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one
CID 136958019
5-chloro-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one
CID 136973330
5-amino-4-(3-piperidin-4-yloxypropylamino)-1H-pyrimidin-6-one
CID 136978197
5-amino-4-[4-(3-aminopropoxy)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136978748
5-amino-4-[4-(2-hydroxyethoxy)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136989614
5-amino-4-[4-(2-aminoethoxy)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136989851
5-amino-4-(4-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136989921
5-amino-4-(4-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 137009115
5-bromo-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one
CID 137015689
5-amino-4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-1H-pyrimidin-6-one
CID 137016046

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one (CID 136973331) is 5-amino-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one is Nc1c(N2CCC3(CC2)OCCO3)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one?
The InChIKey is BDDYLNZSDZUFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c12-8-9(13-7-14-10(8)16)15-3-1-11(2-4-15)17-5-6-18-11/h7H,1-6,12H2,(H,13,14,16).
What are the key properties of 5-amino-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one?
5-amino-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one has a molecular weight of 252.27 g/mol, XLogP of -0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136973331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).