6-amino-2-(3-fluoro-8-azaspiro[4.5]decan-8-yl)-3,5-dimethylpyrimidin-4-one

C15H23FN4O — CID 145209990

IUPAC6-amino-2-(3-fluoro-8-azaspiro[4.5]decan-8-yl)-3,5-dimethylpyrimidin-4-one
SMILESCc1c(N)nc(N2CCC3(CCC(F)C3)CC2)n(C)c1=O
InChIInChI=1S/C15H23FN4O/c1-10-12(17)18-14(19(2)13(10)21)20-7-5-15(6-8-20)4-3-11(16)9-15/h11H,3-9,17H2,1-2H3
InChIKeyPHNMKOYJFWVWQH-UHFFFAOYSA-N
MW294.37 g/mol
LogP1.78
Rot. Bonds1

About 6-amino-2-(3-fluoro-8-azaspiro[4.5]decan-8-yl)-3,5-dimethylpyrimidin-4-one

6-amino-2-(3-fluoro-8-azaspiro[4.5]decan-8-yl)-3,5-dimethylpyrimidin-4-one (PubChem CID 145209990) has the molecular formula C15H23FN4O and a molecular weight of 294.37 g/mol. Its IUPAC name is 6-amino-2-(3-fluoro-8-azaspiro[4.5]decan-8-yl)-3,5-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name6-amino-2-(3-fluoro-8-azaspiro[4.5]decan-8-yl)-3,5-dimethylpyrimidin-4-one
PubChem CID145209990
Molecular FormulaC15H23FN4O
Molecular Weight294.37 g/mol
Exact Mass294.19
IUPAC Name6-amino-2-(3-fluoro-8-azaspiro[4.5]decan-8-yl)-3,5-dimethylpyrimidin-4-one
SMILESCc1c(N)nc(N2CCC3(CCC(F)C3)CC2)n(C)c1=O
InChIInChI=1S/C15H23FN4O/c1-10-12(17)18-14(19(2)13(10)21)20-7-5-15(6-8-20)4-3-11(16)9-15/h11H,3-9,17H2,1-2H3
InChIKeyPHNMKOYJFWVWQH-UHFFFAOYSA-N
XLogP1.78
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(3-fluoro-8-azaspiro[4.5]decan-8-yl)-3,5-dimethylpyrimidin-4-one?
The IUPAC name of 6-amino-2-(3-fluoro-8-azaspiro[4.5]decan-8-yl)-3,5-dimethylpyrimidin-4-one (CID 145209990) is 6-amino-2-(3-fluoro-8-azaspiro[4.5]decan-8-yl)-3,5-dimethylpyrimidin-4-one.
What is the SMILES notation for 6-amino-2-(3-fluoro-8-azaspiro[4.5]decan-8-yl)-3,5-dimethylpyrimidin-4-one?
The canonical SMILES for 6-amino-2-(3-fluoro-8-azaspiro[4.5]decan-8-yl)-3,5-dimethylpyrimidin-4-one is Cc1c(N)nc(N2CCC3(CCC(F)C3)CC2)n(C)c1=O.
What is the InChIKey of 6-amino-2-(3-fluoro-8-azaspiro[4.5]decan-8-yl)-3,5-dimethylpyrimidin-4-one?
The InChIKey is PHNMKOYJFWVWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O/c1-10-12(17)18-14(19(2)13(10)21)20-7-5-15(6-8-20)4-3-11(16)9-15/h11H,3-9,17H2,1-2H3.
What are the key properties of 6-amino-2-(3-fluoro-8-azaspiro[4.5]decan-8-yl)-3,5-dimethylpyrimidin-4-one?
6-amino-2-(3-fluoro-8-azaspiro[4.5]decan-8-yl)-3,5-dimethylpyrimidin-4-one has a molecular weight of 294.37 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(3-fluoro-8-azaspiro[4.5]decan-8-yl)-3,5-dimethylpyrimidin-4-one is sourced from PubChem (CID 145209990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).