5-amino-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one

C12H18N4O3 — CID 102930504

IUPAC5-amino-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one
SMILESNc1c(OC2COC3(CCNCC3)C2)nc[nH]c1=O
InChIInChI=1S/C12H18N4O3/c13-9-10(17)15-7-16-11(9)19-8-5-12(18-6-8)1-3-14-4-2-12/h7-8,14H,1-6,13H2,(H,15,16,17)
InChIKeyGTBRPHUXYLVKPX-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.36
Rot. Bonds2

About 5-amino-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one

5-amino-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one (PubChem CID 102930504) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-amino-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one
PubChem CID102930504
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name5-amino-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one
SMILESNc1c(OC2COC3(CCNCC3)C2)nc[nH]c1=O
InChIInChI=1S/C12H18N4O3/c13-9-10(17)15-7-16-11(9)19-8-5-12(18-6-8)1-3-14-4-2-12/h7-8,14H,1-6,13H2,(H,15,16,17)
InChIKeyGTBRPHUXYLVKPX-UHFFFAOYSA-N
XLogP-0.36
TPSA102.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-iodo-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one
CID 102930502
4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one
CID 102930619
5-bromo-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one
CID 102930649
5-chloro-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one
CID 102930677
5-methoxy-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one
CID 102930678
5-amino-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one
CID 114586413

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one (CID 102930504) is 5-amino-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one is Nc1c(OC2COC3(CCNCC3)C2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one?
The InChIKey is GTBRPHUXYLVKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c13-9-10(17)15-7-16-11(9)19-8-5-12(18-6-8)1-3-14-4-2-12/h7-8,14H,1-6,13H2,(H,15,16,17).
What are the key properties of 5-amino-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one?
5-amino-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one has a molecular weight of 266.30 g/mol, XLogP of -0.36, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 102930504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).