3-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]-6-pyridin-3-ylpyrimidin-4-one

C20H26N4O2 — CID 139375447

IUPAC3-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]-6-pyridin-3-ylpyrimidin-4-one
SMILESCN1CCC(O)(Cn2cnc(-c3cccnc3)cc2=O)C2(CCCC2)C1
InChIInChI=1S/C20H26N4O2/c1-23-10-8-20(26,19(13-23)6-2-3-7-19)14-24-15-22-17(11-18(24)25)16-5-4-9-21-12-16/h4-5,9,11-12,15,26H,2-3,6-8,10,13-14H2,1H3
InChIKeyOKLIRWDDPNSAPB-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.93
Rot. Bonds3

About 3-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]-6-pyridin-3-ylpyrimidin-4-one

3-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]-6-pyridin-3-ylpyrimidin-4-one (PubChem CID 139375447) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]-6-pyridin-3-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]-6-pyridin-3-ylpyrimidin-4-one
PubChem CID139375447
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name3-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]-6-pyridin-3-ylpyrimidin-4-one
SMILESCN1CCC(O)(Cn2cnc(-c3cccnc3)cc2=O)C2(CCCC2)C1
InChIInChI=1S/C20H26N4O2/c1-23-10-8-20(26,19(13-23)6-2-3-7-19)14-24-15-22-17(11-18(24)25)16-5-4-9-21-12-16/h4-5,9,11-12,15,26H,2-3,6-8,10,13-14H2,1H3
InChIKeyOKLIRWDDPNSAPB-UHFFFAOYSA-N
XLogP1.93
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]-6-pyridin-3-ylpyrimidin-4-one?
The IUPAC name of 3-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]-6-pyridin-3-ylpyrimidin-4-one (CID 139375447) is 3-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]-6-pyridin-3-ylpyrimidin-4-one.
What is the SMILES notation for 3-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]-6-pyridin-3-ylpyrimidin-4-one?
The canonical SMILES for 3-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]-6-pyridin-3-ylpyrimidin-4-one is CN1CCC(O)(Cn2cnc(-c3cccnc3)cc2=O)C2(CCCC2)C1.
What is the InChIKey of 3-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]-6-pyridin-3-ylpyrimidin-4-one?
The InChIKey is OKLIRWDDPNSAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-23-10-8-20(26,19(13-23)6-2-3-7-19)14-24-15-22-17(11-18(24)25)16-5-4-9-21-12-16/h4-5,9,11-12,15,26H,2-3,6-8,10,13-14H2,1H3.
What are the key properties of 3-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]-6-pyridin-3-ylpyrimidin-4-one?
3-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]-6-pyridin-3-ylpyrimidin-4-one has a molecular weight of 354.45 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]-6-pyridin-3-ylpyrimidin-4-one is sourced from PubChem (CID 139375447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).