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

C11H16N4O3 — CID 137016046

IUPAC5-amino-4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-1H-pyrimidin-6-one
SMILESNc1c(N2CCCC3(C2)OCCO3)nc[nH]c1=O
InChIInChI=1S/C11H16N4O3/c12-8-9(13-7-14-10(8)16)15-3-1-2-11(6-15)17-4-5-18-11/h7H,1-6,12H2,(H,13,14,16)
InChIKeyKRKURUXXZKEFFH-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.30
Rot. Bonds1

About 5-amino-4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-1H-pyrimidin-6-one

5-amino-4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-1H-pyrimidin-6-one (PubChem CID 137016046) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-amino-4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-1H-pyrimidin-6-one
PubChem CID137016046
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name5-amino-4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-1H-pyrimidin-6-one
SMILESNc1c(N2CCCC3(C2)OCCO3)nc[nH]c1=O
InChIInChI=1S/C11H16N4O3/c12-8-9(13-7-14-10(8)16)15-3-1-2-11(6-15)17-4-5-18-11/h7H,1-6,12H2,(H,13,14,16)
InChIKeyKRKURUXXZKEFFH-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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-1H-pyrimidin-6-one (CID 137016046) is 5-amino-4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-1H-pyrimidin-6-one is Nc1c(N2CCCC3(C2)OCCO3)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-1H-pyrimidin-6-one?
The InChIKey is KRKURUXXZKEFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c12-8-9(13-7-14-10(8)16)15-3-1-2-11(6-15)17-4-5-18-11/h7H,1-6,12H2,(H,13,14,16).
What are the key properties of 5-amino-4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-1H-pyrimidin-6-one?
5-amino-4-(1,4-dioxa-9-azaspiro[4.5]decan-9-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-9-azaspiro[4.5]decan-9-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137016046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).