2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

C15H21N3O2 — CID 136696144

IUPAC2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCN1C2CCC1CC(c1nc3c(c(=O)[nH]1)COCC3)C2
InChIInChI=1S/C15H21N3O2/c1-18-10-2-3-11(18)7-9(6-10)14-16-13-4-5-20-8-12(13)15(19)17-14/h9-11H,2-8H2,1H3,(H,16,17,19)
InChIKeyUGOIWASYGCYRTG-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.18
Rot. Bonds1

About 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (PubChem CID 136696144) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
PubChem CID136696144
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCN1C2CCC1CC(c1nc3c(c(=O)[nH]1)COCC3)C2
InChIInChI=1S/C15H21N3O2/c1-18-10-2-3-11(18)7-9(6-10)14-16-13-4-5-20-8-12(13)15(19)17-14/h9-11H,2-8H2,1H3,(H,16,17,19)
InChIKeyUGOIWASYGCYRTG-UHFFFAOYSA-N
XLogP1.18
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one with MolForge

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Related Compounds

2-(Pyrrolidin-3-ylmethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136671946
2-Piperidin-4-yl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136671948
2-Piperidin-3-yl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136671949
2-(4-Ethylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696135
2-(4-Propylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696346
2-(3-Ethylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696366
2-(3-Methylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136982248
2-(3-Ethylcyclopentyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136982260
2-Cycloheptyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136982267

Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (CID 136696144) is 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is CN1C2CCC1CC(c1nc3c(c(=O)[nH]1)COCC3)C2.
What is the InChIKey of 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The InChIKey is UGOIWASYGCYRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-18-10-2-3-11(18)7-9(6-10)14-16-13-4-5-20-8-12(13)15(19)17-14/h9-11H,2-8H2,1H3,(H,16,17,19).
What are the key properties of 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one has a molecular weight of 275.35 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136696144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).